#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hdh s ILE 13 N 0.00 0.72 -0.31 0.58 1.01 -1.26 -5.10 121.20 116.83 3hdh s ILE 13 Ca 0.00 -1.01 -0.10 0.00 0.00 0.00 0.00 60.65 59.53 3hdh s ILE 13 Cb 0.00 -0.72 -0.01 0.00 0.01 0.00 0.00 42.46 41.73 3hdh s ILE 13 CO 0.00 -0.24 0.18 -0.22 0.00 0.00 0.00 174.94 174.66 3hdh s LEU 14 N -1.38 4.19 -0.16 2.97 2.96 -1.26 -4.66 118.68 121.34 3hdh s LEU 14 Ca -0.05 -0.46 -0.29 0.00 -0.22 0.00 0.00 54.13 53.11 3hdh s LEU 14 Cb -0.09 -2.04 -0.01 0.00 0.50 0.00 0.00 46.19 44.55 3hdh s LEU 14 CO 0.01 -0.19 1.21 -0.69 -1.32 0.00 0.00 176.35 175.37 3hdh s VAL 15 N 1.65 4.35 0.00 1.68 1.01 -1.26 -4.83 120.40 123.00 3hdh s VAL 15 Ca 0.05 1.64 0.00 0.00 0.00 0.00 0.00 61.98 63.67 3hdh s VAL 15 Cb -0.17 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.15 3hdh s VAL 15 CO 0.08 -0.12 0.00 0.29 0.00 0.00 0.00 175.10 175.34 3hdh n LYS 16 N 6.33 0.00 -3.48 2.72 4.76 -1.26 -5.00 118.16 122.23 3hdh n LYS 16 Ca 0.13 0.00 -0.37 0.00 -2.87 0.00 0.00 58.31 55.20 3hdh n LYS 16 Cb 0.45 -0.47 -0.07 0.00 -1.84 0.00 0.00 35.03 33.10 3hdh n LYS 16 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 3hdh s HIS 17 N -1.99 3.46 -0.09 2.13 2.46 -1.26 -1.48 115.29 118.51 3hdh s HIS 17 Ca 0.00 0.64 0.01 0.00 0.47 0.00 0.00 55.06 56.18 3hdh s HIS 17 Cb 0.00 -2.40 0.02 0.00 -0.13 0.00 0.00 32.58 30.07 3hdh s HIS 17 CO 0.00 0.19 -0.09 0.08 -2.47 0.00 0.00 174.74 172.44 3hdh s VAL 18 N 0.62 1.04 -0.23 0.89 1.01 0.11 -1.61 120.40 122.23 3hdh s VAL 18 Ca 0.18 -0.36 -0.08 0.00 0.00 0.00 0.00 61.98 61.72 3hdh s VAL 18 Cb -0.14 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 3hdh s VAL 18 CO 0.06 0.35 0.09 -0.89 0.00 0.00 0.00 175.10 174.71 3hdh s THR 19 N 1.21 4.71 -0.22 3.92 2.01 0.56 -1.41 115.64 126.41 3hdh s THR 19 Ca -0.04 -0.05 -0.03 0.00 0.31 0.00 0.00 61.69 61.88 3hdh s THR 19 Cb -0.14 -3.18 -0.00 0.00 0.01 0.00 0.00 72.50 69.19 3hdh s THR 19 CO -0.03 0.37 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.52 3hdh s VAL 20 N 1.16 3.20 -0.19 3.82 1.01 0.37 -0.72 120.40 129.05 3hdh s VAL 20 Ca 0.05 -0.56 -0.10 0.00 0.00 0.00 0.00 61.98 61.37 3hdh s VAL 20 Cb -0.14 -2.45 -0.05 0.00 0.00 0.00 0.00 36.38 33.74 3hdh s VAL 20 CO 0.04 0.43 0.15 -0.63 0.00 0.00 0.00 175.10 175.08 3hdh s ILE 21 N 1.45 5.41 0.00 2.22 1.01 -0.57 0.25 121.20 130.97 3hdh s ILE 21 Ca 0.06 0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.93 3hdh s ILE 21 Cb -0.14 -3.48 0.00 0.00 0.01 0.00 0.00 42.46 38.85 3hdh s ILE 21 CO -0.05 0.46 0.00 0.61 0.00 0.00 0.00 174.94 175.96 3hdh n GLY 22 N 3.33 -0.72 2.27 6.18 0.00 0.25 -1.94 105.19 114.56 3hdh n GLY 22 Ca -0.16 -0.90 -0.28 0.00 0.00 0.00 0.00 46.02 44.68 3hdh n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hdh n GLY 23 N 1.76 6.14 0.00 -0.02 0.00 -1.26 -4.21 105.19 107.60 3hdh n GLY 23 Ca 0.00 -2.61 0.00 0.00 0.00 0.00 0.00 46.02 43.41 3hdh n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hdh n GLY 24 N -0.67 1.86 0.00 -0.02 0.00 -1.26 -4.27 105.19 100.83 3hdh n GLY 24 Ca 0.47 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.49 3hdh n GLY 24 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3hdh n LEU 25 N 0.00 0.00 0.01 0.99 7.94 -1.26 0.65 117.00 125.33 3hdh n LEU 25 Ca 0.00 0.64 -0.12 0.00 -1.11 0.00 0.00 56.01 55.42 3hdh n LEU 25 Cb 0.00 -0.28 -0.06 0.00 0.53 0.00 0.00 43.42 43.61 3hdh n LEU 25 CO 0.00 -0.28 0.88 0.24 -1.11 0.00 0.00 177.39 177.12 3hdh h MET 26 N 0.00 0.08 -0.31 1.96 2.86 -1.94 -2.82 114.93 114.75 3hdh h MET 26 Ca 0.00 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 3hdh h MET 26 Cb 0.00 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 3hdh h MET 26 CO 0.00 0.09 0.14 0.78 1.06 0.00 0.00 176.91 178.98 3hdh h GLY 27 N 0.05 0.49 0.76 8.32 0.00 -1.61 -0.11 103.07 110.96 3hdh h GLY 27 Ca 0.02 -0.25 0.09 0.00 0.00 0.00 0.00 47.33 47.19 3hdh h GLY 27 CO -0.00 0.24 0.56 0.00 0.00 0.00 0.00 176.54 177.34 3hdh h ALA 28 N 0.99 1.66 0.32 3.60 0.00 0.17 0.12 119.26 126.12 3hdh h ALA 28 Ca 0.11 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3hdh h ALA 28 Cb 0.14 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3hdh h ALA 28 CO -0.01 0.17 -0.15 0.78 0.00 0.00 0.00 179.25 180.03 3hdh h GLY 29 N 0.85 -0.45 1.09 0.00 0.00 -1.14 -1.85 103.07 101.57 3hdh h GLY 29 Ca 0.40 0.17 0.10 0.00 0.00 0.00 0.00 47.33 48.00 3hdh h GLY 29 CO -0.16 -0.16 0.37 -2.22 0.00 0.00 0.00 176.54 174.36 3hdh h ILE 30 N -0.71 0.87 0.64 2.60 2.04 -0.40 -2.29 117.51 120.27 3hdh h ILE 30 Ca -0.04 -0.10 -0.03 0.00 1.00 0.00 0.00 64.86 65.68 3hdh h ILE 30 Cb 0.49 0.54 0.01 0.00 -0.74 0.00 0.00 36.82 37.12 3hdh h ILE 30 CO 0.07 0.06 -0.31 0.00 0.00 0.00 0.00 178.15 177.97 3hdh h ALA 31 N 1.73 -0.99 -0.74 1.87 0.00 -0.54 -1.91 119.26 118.67 3hdh h ALA 31 Ca 0.25 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 55.08 3hdh h ALA 31 Cb 0.60 0.33 -0.12 0.00 0.00 0.00 0.00 17.79 18.60 3hdh h ALA 31 CO -0.06 -0.93 -0.44 0.37 0.00 0.00 0.00 179.25 178.19 3hdh h GLN 32 N -1.06 -0.13 -0.47 0.00 4.15 -0.98 -1.01 115.11 115.60 3hdh h GLN 32 Ca -0.09 0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.36 3hdh h GLN 32 Cb 0.66 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.35 3hdh h GLN 32 CO 0.15 -0.09 0.29 0.28 -1.93 0.00 0.00 178.83 177.53 3hdh h VAL 33 N -0.14 1.07 -0.91 2.39 2.07 -1.49 0.09 116.25 119.33 3hdh h VAL 33 Ca 0.22 -0.20 0.03 0.00 0.82 0.00 0.00 66.70 67.57 3hdh h VAL 33 Cb 0.55 0.43 -0.05 0.00 -1.52 0.00 0.00 31.29 30.70 3hdh h VAL 33 CO -0.80 0.11 0.59 0.00 0.02 0.00 0.00 177.57 177.49 3hdh h ALA 34 N 1.20 1.19 0.13 1.67 0.00 -0.48 -2.73 119.26 120.24 3hdh h ALA 34 Ca 0.18 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3hdh h ALA 34 Cb -0.01 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.45 3hdh h ALA 34 CO -0.07 0.47 -0.06 0.00 0.00 0.00 0.00 179.25 179.58 3hdh h ALA 35 N 1.37 -0.80 -0.99 0.00 0.00 -0.70 -1.85 119.26 116.28 3hdh h ALA 35 Ca 0.36 -0.04 0.29 0.00 0.00 0.00 0.00 54.91 55.51 3hdh h ALA 35 Cb -0.02 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 3hdh h ALA 35 CO -0.11 -0.79 1.17 0.00 0.00 0.00 0.00 179.25 179.52 3hdh n ALA 36 N -2.12 0.95 -1.28 0.00 0.00 -0.03 0.25 120.51 118.28 3hdh n ALA 36 Ca -0.02 0.33 -0.17 0.00 0.00 0.00 0.00 53.44 53.57 3hdh n ALA 36 Cb 0.07 -0.57 0.19 0.00 0.00 0.00 0.00 19.45 19.14 3hdh n ALA 36 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3hdh n THR 37 N -3.15 3.00 -3.27 0.00 -2.24 -1.03 -4.95 114.28 102.63 3hdh n THR 37 Ca 0.22 -2.15 -0.15 0.00 -2.27 0.00 0.00 64.05 59.70 3hdh n THR 37 Cb 1.47 -0.42 0.08 0.00 -2.10 0.00 0.00 70.33 69.36 3hdh n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hdh n GLY 38 N -1.08 -0.27 3.32 3.38 0.00 0.71 -4.95 105.19 106.29 3hdh n GLY 38 Ca 0.51 0.04 -0.29 0.00 0.00 0.00 0.00 46.02 46.27 3hdh n GLY 38 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hdh s HIS 39 N -3.32 2.22 -0.19 1.61 3.76 -0.70 -5.01 115.29 113.66 3hdh s HIS 39 Ca 0.01 -0.41 -0.28 0.00 -0.15 0.00 0.00 55.06 54.23 3hdh s HIS 39 Cb -0.00 -1.36 -0.00 0.00 1.11 0.00 0.00 32.58 32.33 3hdh s HIS 39 CO 0.65 0.07 0.97 0.99 -0.85 0.00 0.00 174.74 176.57 3hdh s THR 40 N -0.74 4.75 -0.11 1.30 2.01 -0.55 -4.17 115.64 118.14 3hdh s THR 40 Ca 0.11 1.91 0.03 0.00 0.31 0.00 0.00 61.69 64.05 3hdh s THR 40 Cb -0.10 -4.26 -0.00 0.00 0.01 0.00 0.00 72.50 68.15 3hdh s THR 40 CO 0.01 -0.09 -0.23 -0.69 -0.69 0.00 0.00 174.62 172.93 3hdh s VAL 41 N 2.73 2.17 -0.20 3.82 1.01 -0.53 0.04 120.40 129.43 3hdh s VAL 41 Ca 0.43 -0.98 -0.05 0.00 0.00 0.00 0.00 61.98 61.38 3hdh s VAL 41 Cb -0.16 -1.84 -0.02 0.00 0.00 0.00 0.00 36.38 34.36 3hdh s VAL 41 CO 0.10 0.56 0.00 -0.69 0.00 0.00 0.00 175.10 175.07 3hdh s VAL 42 N 0.38 3.95 -0.36 2.92 1.01 -0.50 -0.62 120.40 127.18 3hdh s VAL 42 Ca -0.17 -0.31 -0.10 0.00 0.00 0.00 0.00 61.98 61.40 3hdh s VAL 42 Cb -0.18 -2.79 0.03 0.00 0.00 0.00 0.00 36.38 33.44 3hdh s VAL 42 CO 0.08 0.42 0.18 -0.22 0.00 0.00 0.00 175.10 175.55 3hdh s LEU 43 N 1.07 4.53 -0.13 3.92 2.96 0.14 -0.48 118.68 130.69 3hdh s LEU 43 Ca 0.02 -0.96 -0.04 0.00 -0.22 0.00 0.00 54.13 52.93 3hdh s LEU 43 Cb -0.14 -1.99 -0.04 0.00 0.50 0.00 0.00 46.19 44.53 3hdh s LEU 43 CO 0.02 -0.34 0.03 -0.69 -1.32 0.00 0.00 176.35 174.04 3hdh s VAL 44 N 1.53 4.50 0.00 1.68 1.01 0.14 -2.59 120.40 126.67 3hdh s VAL 44 Ca 0.02 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 61.84 3hdh s VAL 44 Cb -0.19 -2.95 0.00 0.00 0.00 0.00 0.00 36.38 33.24 3hdh s VAL 44 CO 0.06 0.55 0.00 -0.67 0.00 0.00 0.00 175.10 175.03 3hdh n ASP 45 N 2.76 0.00 -0.04 3.32 -0.08 -1.14 0.85 116.55 122.23 3hdh n ASP 45 Ca -0.18 -0.52 -0.21 0.00 -1.51 0.00 0.00 54.79 52.37 3hdh n ASP 45 Cb 0.53 0.00 -0.13 0.00 2.34 0.00 0.00 41.12 43.86 3hdh n ASP 45 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 3hdh h GLN 46 N 0.00 0.14 -6.22 -0.67 4.20 -1.88 -3.40 115.11 107.28 3hdh h GLN 46 Ca 0.00 -0.24 -0.69 0.00 0.06 0.00 0.00 58.65 57.78 3hdh h GLN 46 Cb 0.00 0.09 -0.21 0.00 0.30 0.00 0.00 27.48 27.66 3hdh h GLN 46 CO 0.00 1.12 -0.73 0.99 -0.67 0.00 0.00 178.83 179.54 3hdh s THR 47 N -2.43 3.44 0.66 -0.54 2.01 -1.26 -4.88 115.64 112.64 3hdh s THR 47 Ca -0.23 -0.59 0.42 0.00 0.31 0.00 0.00 61.69 61.60 3hdh s THR 47 Cb 0.05 -2.39 0.43 0.00 0.01 0.00 0.00 72.50 70.60 3hdh s THR 47 CO 0.70 0.59 2.33 -0.33 -0.69 0.00 0.00 174.62 177.22 3hdh h GLU 48 N 5.26 0.00 0.11 4.92 5.08 -1.95 0.32 114.58 128.32 3hdh h GLU 48 Ca -0.48 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 57.59 3hdh h GLU 48 Cb 1.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 3hdh h GLU 48 CO 0.51 0.00 -1.40 -0.44 -1.00 0.00 0.00 179.01 176.68 3hdh h ASP 49 N 0.00 0.36 -0.27 1.42 3.32 -1.99 -2.02 116.42 117.25 3hdh h ASP 49 Ca 0.00 -0.45 0.00 0.00 0.02 0.00 0.00 57.03 56.60 3hdh h ASP 49 Cb 0.06 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 3hdh h ASP 49 CO -0.00 1.37 0.17 0.40 -1.72 0.00 0.00 179.24 179.45 3hdh h ILE 50 N 0.06 1.08 -0.97 0.35 2.04 -0.83 -1.43 117.51 117.81 3hdh h ILE 50 Ca -0.19 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.49 3hdh h ILE 50 Cb 1.98 0.73 -0.05 0.00 -0.74 0.00 0.00 36.82 38.75 3hdh h ILE 50 CO 0.17 0.08 0.62 -0.07 0.00 0.00 0.00 178.15 178.95 3hdh h LEU 51 N 0.35 1.14 0.50 1.44 3.38 -1.19 0.20 115.31 121.11 3hdh h LEU 51 Ca 0.10 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3hdh h LEU 51 Cb -0.01 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 3hdh h LEU 51 CO -0.02 0.84 -0.47 0.00 0.09 0.00 0.00 178.44 178.88 3hdh h ALA 52 N 1.34 -1.14 -0.73 1.53 0.00 -0.54 0.22 119.26 119.94 3hdh h ALA 52 Ca 0.35 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.12 3hdh h ALA 52 Cb -0.12 0.69 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 3hdh h ALA 52 CO -0.07 -1.16 0.45 -0.22 0.00 0.00 0.00 179.25 178.25 3hdh h LYS 53 N -0.96 0.84 -0.10 0.00 3.64 -1.04 -1.43 116.57 117.52 3hdh h LYS 53 Ca -0.06 -0.05 0.04 0.00 -1.27 0.00 0.00 60.65 59.31 3hdh h LYS 53 Cb 0.82 -0.19 -0.06 0.00 -0.41 0.00 0.00 32.23 32.39 3hdh h LYS 53 CO -0.04 0.55 -0.40 1.03 -2.27 0.00 0.00 179.45 178.32 3hdh h SER 54 N 0.86 -1.24 -0.88 4.20 0.87 -0.23 -1.55 113.55 115.58 3hdh h SER 54 Ca 0.31 0.16 -0.02 0.00 -1.23 0.00 0.00 61.79 61.01 3hdh h SER 54 Cb 0.08 0.50 -0.04 0.00 -0.44 0.00 0.00 62.40 62.50 3hdh h SER 54 CO -0.13 -0.42 0.48 0.50 -0.53 0.00 0.00 176.83 176.73 3hdh h LYS 55 N -0.49 1.22 -0.01 2.24 3.64 -0.68 -2.34 116.57 120.16 3hdh h LYS 55 Ca 0.07 -0.14 0.03 0.00 -1.27 0.00 0.00 60.65 59.35 3hdh h LYS 55 Cb 0.62 -0.24 -0.05 0.00 -0.41 0.00 0.00 32.23 32.15 3hdh h LYS 55 CO -0.37 0.89 -0.28 -0.22 -2.27 0.00 0.00 179.45 177.20 3hdh h LYS 56 N 1.23 -0.40 -0.97 1.90 3.64 -0.51 -0.59 116.57 120.87 3hdh h LYS 56 Ca 0.31 0.03 0.11 0.00 -1.27 0.00 0.00 60.65 59.83 3hdh h LYS 56 Cb 0.03 0.09 -0.08 0.00 -0.41 0.00 0.00 32.23 31.86 3hdh h LYS 56 CO -0.05 -0.27 0.60 0.78 -2.27 0.00 0.00 179.45 178.24 3hdh h GLY 57 N -0.42 1.57 1.30 5.01 0.00 -0.97 0.37 103.07 109.93 3hdh h GLY 57 Ca 0.06 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 3hdh h GLY 57 CO -0.25 0.16 0.39 -2.22 0.00 0.00 0.00 176.54 174.62 3hdh h ILE 58 N 0.96 1.20 -0.28 2.60 2.04 -0.75 0.12 117.51 123.41 3hdh h ILE 58 Ca 0.48 -0.46 -0.07 0.00 1.00 0.00 0.00 64.86 65.81 3hdh h ILE 58 Cb 0.45 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 3hdh h ILE 58 CO -0.26 0.21 -0.09 -0.08 0.00 0.00 0.00 178.15 177.94 3hdh h GLU 59 N 0.94 0.55 -0.87 2.37 4.81 0.47 -0.79 114.58 122.06 3hdh h GLU 59 Ca 0.24 -0.22 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 3hdh h GLU 59 Cb -0.01 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.30 3hdh h GLU 59 CO -0.04 0.76 0.52 1.49 -0.73 0.00 0.00 179.01 181.01 3hdh h GLU 60 N 0.30 1.18 -0.09 1.92 4.81 -0.32 -1.39 114.58 121.00 3hdh h GLU 60 Ca 0.07 -0.11 -0.16 0.00 -0.13 0.00 0.00 59.36 59.03 3hdh h GLU 60 Cb 0.57 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 3hdh h GLU 60 CO 0.03 0.83 -0.64 1.03 -0.73 0.00 0.00 179.01 179.53 3hdh h SER 61 N 1.20 0.38 -0.13 1.04 0.87 -0.64 -2.81 113.55 113.45 3hdh h SER 61 Ca 0.31 -0.23 -0.14 0.00 -1.23 0.00 0.00 61.79 60.51 3hdh h SER 61 Cb -0.04 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 61.80 3hdh h SER 61 CO -0.06 0.92 -0.39 -0.07 -0.53 0.00 0.00 176.83 176.70 3hdh h LEU 62 N 0.24 0.70 -0.56 2.23 3.38 -0.60 -2.53 115.31 118.17 3hdh h LEU 62 Ca -0.01 -0.31 -0.10 0.00 0.09 0.00 0.00 57.88 57.54 3hdh h LEU 62 Cb 1.18 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 3hdh h LEU 62 CO 0.11 1.01 -0.06 0.03 0.09 0.00 0.00 178.44 179.62 3hdh h ARG 63 N 0.55 1.02 -0.85 1.13 3.08 -1.22 0.55 114.38 118.64 3hdh h ARG 63 Ca 0.05 -0.36 0.04 0.00 0.07 0.00 0.00 59.98 59.79 3hdh h ARG 63 Cb 0.91 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.84 3hdh h ARG 63 CO 0.08 1.04 0.56 -0.22 -1.07 0.00 0.00 179.97 180.36 3hdh h LYS 64 N 0.90 0.99 -0.00 0.04 1.63 -1.36 -0.46 116.57 118.32 3hdh h LYS 64 Ca 0.15 -0.06 -0.17 0.00 -0.85 0.00 0.00 60.65 59.72 3hdh h LYS 64 Cb 0.62 -0.22 -0.02 0.00 -0.60 0.00 0.00 32.23 32.01 3hdh h LYS 64 CO 0.04 0.66 -0.80 0.28 -3.45 0.00 0.00 179.45 176.18 3hdh h VAL 65 N 1.02 1.54 -0.37 2.00 2.07 -1.07 -3.28 116.25 118.16 3hdh h VAL 65 Ca 0.35 -2.65 -0.15 0.00 0.82 0.00 0.00 66.70 65.06 3hdh h VAL 65 Cb 0.08 2.44 -0.01 0.00 -1.52 0.00 0.00 31.29 32.29 3hdh h VAL 65 CO -0.11 0.76 -0.35 0.00 0.02 0.00 0.00 177.57 177.89 3hdh h ALA 66 N 1.16 0.68 0.00 1.67 0.00 0.68 -0.27 119.26 123.17 3hdh h ALA 66 Ca -0.02 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3hdh h ALA 66 Cb 1.41 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3hdh h ALA 66 CO 0.11 0.67 0.00 0.87 0.00 0.00 0.00 179.25 180.90 3hdh h LYS 67 N 0.71 0.00 0.00 0.00 1.79 -1.33 0.23 116.57 117.97 3hdh h LYS 67 Ca 0.07 0.00 -0.28 0.00 -2.18 0.00 0.00 60.65 58.26 3hdh h LYS 67 Cb 0.92 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.53 3hdh h LYS 67 CO 0.08 0.00 -1.80 1.63 -1.08 0.00 0.00 179.45 178.29 3hdh n LYS 68 N -2.57 0.56 0.07 3.15 5.02 -1.00 -3.43 118.16 119.97 3hdh n LYS 68 Ca -0.01 0.32 -0.01 0.00 -2.02 0.00 0.00 58.31 56.60 3hdh n LYS 68 Cb 0.14 -1.53 0.29 0.00 -0.02 0.00 0.00 35.03 33.90 3hdh n LYS 68 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3hdh h LYS 69 N -1.00 0.33 -0.40 1.97 3.64 -0.98 -3.20 116.57 116.93 3hdh h LYS 69 Ca -0.42 -0.11 -0.30 0.00 -1.27 0.00 0.00 60.65 58.56 3hdh h LYS 69 Cb 1.33 -0.03 -0.27 0.00 -0.41 0.00 0.00 32.23 32.85 3hdh h LYS 69 CO -0.25 0.54 -0.75 1.19 -2.27 0.00 0.00 179.45 177.90 3hdh n PHE 70 N -4.17 1.43 -0.16 1.91 3.01 0.06 -4.84 117.46 114.71 3hdh n PHE 70 Ca -0.01 -1.83 0.21 0.00 1.01 0.00 0.00 57.45 56.83 3hdh n PHE 70 Cb 0.36 -0.28 0.60 0.00 -0.01 0.00 0.00 39.48 40.15 3hdh n PHE 70 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3hdh h ALA 71 N 1.72 2.41 -0.63 4.37 0.00 -1.57 -1.10 119.26 124.46 3hdh h ALA 71 Ca 0.14 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.74 3hdh h ALA 71 Cb 1.35 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 18.96 3hdh h ALA 71 CO 0.39 -0.64 0.39 0.39 0.00 0.00 0.00 179.25 179.78 3hdh n GLU 72 N -4.42 2.03 0.00 0.00 1.02 -1.26 -4.48 120.64 113.54 3hdh n GLU 72 Ca 0.16 -2.00 0.00 0.00 -0.02 0.00 0.00 57.16 55.30 3hdh n GLU 72 Cb 0.70 -1.81 0.00 0.00 -0.02 0.00 0.00 31.44 30.32 3hdh n GLU 72 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3hdh n ASN 73 N -0.47 0.00 -0.01 1.62 5.15 -0.42 -5.06 115.26 116.07 3hdh n ASN 73 Ca 0.37 0.00 0.16 0.00 -0.60 0.00 0.00 54.58 54.52 3hdh n ASN 73 Cb 1.23 0.00 0.62 0.00 -0.53 0.00 0.00 39.78 41.10 3hdh n ASN 73 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3hdh h PRO 74 N 0.00 0.14 0.22 1.20 0.13 -1.78 -1.81 132.00 130.10 3hdh h PRO 74 Ca 0.00 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.11 3hdh h PRO 74 Cb 0.00 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.10 3hdh h PRO 74 CO 0.00 0.09 -0.11 -0.22 -0.23 0.00 0.00 178.00 177.54 3hdh h LYS 75 N 0.14 -0.28 -0.47 0.86 3.11 -1.97 0.40 116.57 118.35 3hdh h LYS 75 Ca 0.24 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 58.10 3hdh h LYS 75 Cb 0.77 0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 32.04 3hdh h LYS 75 CO -0.03 -0.16 0.31 0.00 -2.81 0.00 0.00 179.45 176.75 3hdh h ALA 76 N 0.45 1.65 0.43 5.00 0.00 -1.78 -1.10 119.26 123.93 3hdh h ALA 76 Ca -0.03 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3hdh h ALA 76 Cb 0.25 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3hdh h ALA 76 CO 0.05 0.32 -0.23 0.78 0.00 0.00 0.00 179.25 180.17 3hdh h GLY 77 N 0.65 -0.64 1.51 0.00 0.00 -0.33 -1.26 103.07 103.00 3hdh h GLY 77 Ca 0.17 0.25 0.07 0.00 0.00 0.00 0.00 47.33 47.82 3hdh h GLY 77 CO -0.04 -0.24 0.18 -0.55 0.00 0.00 0.00 176.54 175.89 3hdh h ASP 78 N -0.62 0.00 0.07 0.19 3.32 0.50 -1.94 116.42 117.94 3hdh h ASP 78 Ca -0.05 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.99 3hdh h ASP 78 Cb 0.49 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.04 3hdh h ASP 78 CO 0.08 0.00 -0.03 -0.33 -1.72 0.00 0.00 179.24 177.23 3hdh h GLU 79 N 0.00 -0.09 -0.66 3.56 5.08 -0.81 -2.56 114.58 119.10 3hdh h GLU 79 Ca 0.11 0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.61 3hdh h GLU 79 Cb 0.46 0.02 -0.13 0.00 0.50 0.00 0.00 28.75 29.61 3hdh h GLU 79 CO -0.00 0.39 -0.23 0.35 -1.00 0.00 0.00 179.01 178.52 3hdh h PHE 80 N -0.62 -0.55 -0.68 4.33 3.57 -0.48 0.11 116.94 122.62 3hdh h PHE 80 Ca -0.01 0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 3hdh h PHE 80 Cb 0.52 0.34 -0.03 0.00 2.79 0.00 0.00 35.95 39.57 3hdh h PHE 80 CO 0.09 -0.33 0.37 0.28 -2.23 0.00 0.00 178.31 176.50 3hdh h VAL 81 N -0.05 1.21 0.68 1.41 2.07 -1.47 -1.16 116.25 118.94 3hdh h VAL 81 Ca 0.30 -0.53 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 3hdh h VAL 81 Cb 0.52 0.33 0.01 0.00 -1.52 0.00 0.00 31.29 30.63 3hdh h VAL 81 CO -0.70 0.23 -0.33 -0.33 0.02 0.00 0.00 177.57 176.46 3hdh h GLU 82 N 0.93 -0.88 -0.32 1.57 5.08 -0.59 -1.14 114.58 119.23 3hdh h GLU 82 Ca 0.24 0.06 0.05 0.00 -1.00 0.00 0.00 59.36 58.71 3hdh h GLU 82 Cb 0.04 0.20 -0.08 0.00 0.50 0.00 0.00 28.75 29.41 3hdh h GLU 82 CO -0.04 -0.59 -0.50 -0.22 -1.00 0.00 0.00 179.01 176.67 3hdh h LYS 83 N -1.15 -0.41 0.00 2.33 3.64 -0.91 -1.22 116.57 118.85 3hdh h LYS 83 Ca -0.09 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 3hdh h LYS 83 Cb 0.70 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 3hdh h LYS 83 CO 0.15 -0.27 0.00 2.41 -2.27 0.00 0.00 179.45 179.47 3hdh n THR 84 N -5.41 0.00 0.22 1.00 -1.04 -0.44 -1.91 114.28 106.70 3hdh n THR 84 Ca -0.03 1.39 0.14 0.00 -2.04 0.00 0.00 64.05 63.50 3hdh n THR 84 Cb 0.36 -2.06 0.54 0.00 -1.82 0.00 0.00 70.33 67.35 3hdh n THR 84 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3hdh h LEU 85 N 0.00 0.00 -0.19 -4.42 5.85 -0.99 0.17 115.31 115.74 3hdh h LEU 85 Ca 0.00 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.50 3hdh h LEU 85 Cb 0.00 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 3hdh h LEU 85 CO 0.00 0.00 -0.94 0.77 -0.34 0.00 0.00 178.44 177.93 3hdh h SER 86 N 0.00 0.43 0.00 1.25 4.64 -0.51 -2.98 113.55 116.38 3hdh h SER 86 Ca 0.10 -0.36 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 3hdh h SER 86 Cb 1.37 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3hdh h SER 86 CO -0.00 1.16 0.00 -1.20 -0.87 0.00 0.00 176.83 175.92 3hdh n SER 87 N -3.70 0.00 -4.30 4.97 7.64 0.60 -4.42 113.62 114.42 3hdh n SER 87 Ca -0.06 -0.26 -0.38 0.00 1.01 0.00 0.00 58.87 59.19 3hdh n SER 87 Cb 0.84 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.92 3hdh n SER 87 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3hdh s ILE 88 N -2.00 3.84 0.25 0.44 1.01 -1.13 -1.46 121.20 122.16 3hdh s ILE 88 Ca 0.11 -0.97 0.08 0.00 0.00 0.00 0.00 60.65 59.87 3hdh s ILE 88 Cb 0.05 -3.10 -0.04 0.00 0.01 0.00 0.00 42.46 39.38 3hdh s ILE 88 CO 0.09 -0.08 0.13 -0.94 0.00 0.00 0.00 174.94 174.13 3hdh s SER 89 N 1.44 5.19 0.40 3.58 1.04 0.21 -4.97 113.70 120.59 3hdh s SER 89 Ca -0.00 -0.38 0.05 0.00 0.48 0.00 0.00 55.95 56.10 3hdh s SER 89 Cb -0.19 -1.22 -0.07 0.00 0.10 0.00 0.00 66.02 64.65 3hdh s SER 89 CO 0.03 -0.02 0.03 0.28 0.98 0.00 0.00 173.24 174.53 3hdh s THR 90 N -2.19 1.64 -0.13 2.02 -1.32 -1.26 0.26 115.64 114.66 3hdh s THR 90 Ca 0.32 -2.00 -0.30 0.00 -1.21 0.00 0.00 61.69 58.50 3hdh s THR 90 Cb -0.07 -2.83 0.12 0.00 -1.51 0.00 0.00 72.50 68.20 3hdh s THR 90 CO 0.23 0.00 0.94 -0.55 -2.21 0.00 0.00 174.62 173.03 3hdh s SER 91 N -3.67 -0.41 0.00 8.08 0.15 -1.07 -4.86 113.70 111.93 3hdh s SER 91 Ca 0.32 0.41 0.20 0.00 0.70 0.00 0.00 55.95 57.58 3hdh s SER 91 Cb 0.08 0.35 0.04 0.00 -1.71 0.00 0.00 66.02 64.79 3hdh s SER 91 CO 0.16 -0.41 1.03 0.35 1.20 0.00 0.00 173.24 175.56 3hdh n THR 92 N 0.66 0.00 -3.65 6.45 -2.24 -1.26 -2.88 114.28 111.36 3hdh n THR 92 Ca -0.11 -0.36 -0.29 0.00 -2.27 0.00 0.00 64.05 61.01 3hdh n THR 92 Cb 0.58 1.29 -0.13 0.00 -2.10 0.00 0.00 70.33 69.97 3hdh n THR 92 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hdh s ASP 93 N -2.04 3.57 0.28 3.42 2.15 -1.26 -4.76 116.67 118.02 3hdh s ASP 93 Ca 0.18 -2.26 0.02 0.00 0.43 0.00 0.00 52.55 50.93 3hdh s ASP 93 Cb 0.16 -0.82 0.63 0.00 -0.30 0.00 0.00 42.92 42.59 3hdh s ASP 93 CO 0.42 -0.32 1.76 0.00 -0.17 0.00 0.00 175.17 176.86 3hdh h ALA 94 N 7.16 1.45 -1.49 3.66 0.00 -1.91 -2.52 119.26 125.60 3hdh h ALA 94 Ca -0.03 0.09 0.46 0.00 0.00 0.00 0.00 54.91 55.43 3hdh h ALA 94 Cb 0.96 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.63 3hdh h ALA 94 CO 0.43 -0.09 1.04 0.00 0.00 0.00 0.00 179.25 180.62 3hdh n ALA 95 N -2.39 1.45 0.83 0.00 0.00 -1.26 -0.19 120.51 118.94 3hdh n ALA 95 Ca 0.20 0.65 0.10 0.00 0.00 0.00 0.00 53.44 54.38 3hdh n ALA 95 Cb 0.51 -0.96 0.06 0.00 0.00 0.00 0.00 19.45 19.06 3hdh n ALA 95 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3hdh n SER 96 N -3.98 2.41 -0.20 0.00 3.41 -0.95 -4.39 113.62 109.92 3hdh n SER 96 Ca 0.37 -1.71 0.02 0.00 -0.26 0.00 0.00 58.87 57.30 3hdh n SER 96 Cb 1.58 0.13 0.06 0.00 -0.26 0.00 0.00 64.21 65.73 3hdh n SER 96 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3hdh n VAL 97 N 0.78 1.11 0.75 -3.33 0.24 0.73 -4.68 118.33 113.93 3hdh n VAL 97 Ca 0.11 -1.12 0.08 0.00 -2.04 0.00 0.00 64.34 61.36 3hdh n VAL 97 Cb 0.47 0.42 -0.03 0.00 -1.47 0.00 0.00 33.84 33.22 3hdh n VAL 97 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 3hdh n VAL 98 N -0.31 0.00 0.44 3.34 0.24 -1.15 -3.97 118.33 116.94 3hdh n VAL 98 Ca 0.05 -0.25 0.13 0.00 -2.04 0.00 0.00 64.34 62.23 3hdh n VAL 98 Cb 0.35 1.13 0.46 0.00 -1.47 0.00 0.00 33.84 34.30 3hdh n VAL 98 CO 0.00 0.00 0.00 1.12 -2.14 0.00 0.00 176.83 175.81 3hdh h HIS 99 N 1.19 0.00 -0.00 6.34 2.07 -1.84 -3.08 115.15 119.84 3hdh h HIS 99 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3hdh h HIS 99 Cb 0.50 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.48 3hdh h HIS 99 CO 0.00 0.00 -0.02 -1.13 -3.07 0.00 0.00 177.93 173.71 3hdh n SER 100 N -2.43 0.97 -4.86 3.10 3.41 -1.26 -4.06 113.62 108.49 3hdh n SER 100 Ca 0.03 -0.98 -0.31 0.00 -0.26 0.00 0.00 58.87 57.35 3hdh n SER 100 Cb 0.33 0.19 -0.03 0.00 -0.26 0.00 0.00 64.21 64.44 3hdh n SER 100 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3hdh s THR 101 N -0.35 4.65 -0.12 6.66 -1.32 -1.19 -4.91 115.64 119.06 3hdh s THR 101 Ca 0.02 0.93 0.16 0.00 -1.21 0.00 0.00 61.69 61.59 3hdh s THR 101 Cb 0.02 -3.73 -0.23 0.00 -1.51 0.00 0.00 72.50 67.05 3hdh s THR 101 CO 0.03 -0.61 0.42 0.47 -2.21 0.00 0.00 174.62 172.72 3hdh n ASP 102 N -1.46 0.47 -3.79 8.08 8.00 -0.63 -4.62 116.55 122.61 3hdh n ASP 102 Ca 0.05 0.22 -0.13 0.00 0.71 0.00 0.00 54.79 55.64 3hdh n ASP 102 Cb 0.54 0.47 -0.12 0.00 -0.02 0.00 0.00 41.12 41.99 3hdh n ASP 102 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3hdh s LEU 103 N -5.76 1.06 -0.24 0.64 2.96 -1.13 -2.01 118.68 114.21 3hdh s LEU 103 Ca -0.07 0.47 -0.01 0.00 -0.22 0.00 0.00 54.13 54.31 3hdh s LEU 103 Cb 0.07 0.80 0.03 0.00 0.50 0.00 0.00 46.19 47.59 3hdh s LEU 103 CO 0.83 -0.09 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.99 3hdh s VAL 104 N 0.19 2.67 -0.28 1.68 1.01 -0.15 -0.33 120.40 125.20 3hdh s VAL 104 Ca -0.01 -1.06 -0.07 0.00 0.00 0.00 0.00 61.98 60.84 3hdh s VAL 104 Cb -0.02 -2.34 -0.00 0.00 0.00 0.00 0.00 36.38 34.02 3hdh s VAL 104 CO -0.00 0.24 0.08 -0.69 0.00 0.00 0.00 175.10 174.73 3hdh s VAL 105 N 1.30 4.07 -0.11 2.92 1.01 0.10 -1.09 120.40 128.60 3hdh s VAL 105 Ca 0.00 -0.56 -0.11 0.00 0.00 0.00 0.00 61.98 61.32 3hdh s VAL 105 Cb -0.16 -3.05 -0.05 0.00 0.00 0.00 0.00 36.38 33.12 3hdh s VAL 105 CO -0.06 0.14 0.24 -0.70 0.00 0.00 0.00 175.10 174.72 3hdh s GLU 106 N 1.53 3.83 -0.48 2.72 -6.30 0.06 -1.52 118.70 118.54 3hdh s GLU 106 Ca 0.04 0.05 0.06 0.00 -2.50 0.00 0.00 54.97 52.62 3hdh s GLU 106 Cb -0.17 -3.28 0.26 0.00 0.00 0.00 0.00 34.13 30.94 3hdh s GLU 106 CO 0.03 0.58 0.92 0.00 0.02 0.00 0.00 175.26 176.81 3hdh n ALA 107 N 2.47 -1.18 -2.67 6.30 0.00 -0.82 -1.30 120.51 123.31 3hdh n ALA 107 Ca -0.16 -1.47 -0.31 0.00 0.00 0.00 0.00 53.44 51.49 3hdh n ALA 107 Cb 0.53 -1.29 -0.07 0.00 0.00 0.00 0.00 19.45 18.63 3hdh n ALA 107 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3hdh s ILE 108 N 0.55 1.39 0.01 0.00 -4.36 -1.26 -4.44 121.20 113.10 3hdh s ILE 108 Ca 0.30 -1.89 -0.15 0.00 -0.26 0.00 0.00 60.65 58.64 3hdh s ILE 108 Cb 0.24 -2.29 -0.08 0.00 1.25 0.00 0.00 42.46 41.58 3hdh s ILE 108 CO -0.21 0.00 0.40 0.52 0.24 0.00 0.00 174.94 175.89 3hdh n VAL 109 N -1.32 0.15 -1.91 8.37 0.31 -1.26 -4.71 118.33 117.96 3hdh n VAL 109 Ca -0.14 -0.04 -0.38 0.00 -0.01 0.00 0.00 64.34 63.77 3hdh n VAL 109 Cb 0.66 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.56 3hdh n VAL 109 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3hdh n GLU 110 N 0.58 2.19 -3.66 5.55 4.07 -1.26 -4.75 120.64 123.36 3hdh n GLU 110 Ca 0.08 -2.54 -0.18 0.00 -0.06 0.00 0.00 57.16 54.46 3hdh n GLU 110 Cb 0.05 -3.39 -0.16 0.00 -0.06 0.00 0.00 31.44 27.87 3hdh n GLU 110 CO 0.00 0.00 0.00 1.21 -0.06 0.00 0.00 177.13 178.28 3hdh s ASN 111 N 4.98 1.00 0.14 4.31 3.84 -1.26 -5.06 114.94 122.89 3hdh s ASN 111 Ca 0.58 0.17 -0.23 0.00 0.21 0.00 0.00 52.86 53.59 3hdh s ASN 111 Cb 0.07 0.12 0.00 0.00 -0.55 0.00 0.00 41.25 40.89 3hdh s ASN 111 CO 0.08 -0.26 1.64 0.25 -2.79 0.00 0.00 177.10 176.02 3hdh h LEU 112 N 8.39 -0.73 -0.24 3.21 5.85 -2.00 -2.44 115.31 127.34 3hdh h LEU 112 Ca -0.13 0.12 0.06 0.00 0.84 0.00 0.00 57.88 58.77 3hdh h LEU 112 Cb 1.12 0.33 -0.07 0.00 0.37 0.00 0.00 40.66 42.41 3hdh h LEU 112 CO 0.16 -0.28 -0.32 0.11 -0.34 0.00 0.00 178.44 177.77 3hdh h LYS 113 N -0.28 -0.32 0.35 1.25 1.79 -1.98 -1.61 116.57 115.77 3hdh h LYS 113 Ca 0.11 0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.59 3hdh h LYS 113 Cb 0.45 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.17 3hdh h LYS 113 CO -0.33 -0.21 -0.17 0.28 -1.08 0.00 0.00 179.45 177.93 3hdh h VAL 114 N -0.33 0.64 -0.48 0.50 2.07 -1.89 -2.31 116.25 114.44 3hdh h VAL 114 Ca 0.13 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.71 3hdh h VAL 114 Cb 0.54 0.64 -0.05 0.00 -1.52 0.00 0.00 31.29 30.90 3hdh h VAL 114 CO -0.43 0.00 0.18 0.11 0.02 0.00 0.00 177.57 177.45 3hdh h LYS 115 N -0.48 0.35 -0.58 1.57 1.57 -1.38 -1.77 116.57 115.85 3hdh h LYS 115 Ca -0.05 -0.02 0.10 0.00 -1.87 0.00 0.00 60.65 58.82 3hdh h LYS 115 Cb 0.37 -0.08 -0.08 0.00 0.08 0.00 0.00 32.23 32.52 3hdh h LYS 115 CO 0.07 0.23 0.14 0.77 -0.57 0.00 0.00 179.45 180.09 3hdh h SER 116 N 0.36 0.05 -0.42 0.86 0.02 -1.14 0.27 113.55 113.55 3hdh h SER 116 Ca 0.23 0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 61.25 3hdh h SER 116 Cb 0.23 0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 3hdh h SER 116 CO -0.23 0.04 0.15 -0.33 -1.14 0.00 0.00 176.83 175.32 3hdh h GLU 117 N 0.29 0.64 0.52 3.45 4.39 -0.93 -0.52 114.58 122.42 3hdh h GLU 117 Ca 0.30 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 59.86 3hdh h GLU 117 Cb 0.43 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 3hdh h GLU 117 CO -0.37 0.62 -0.45 1.25 -1.16 0.00 0.00 179.01 178.90 3hdh h LEU 118 N 0.53 -1.21 -0.68 1.33 5.85 -0.41 0.62 115.31 121.34 3hdh h LEU 118 Ca 0.14 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.95 3hdh h LEU 118 Cb 0.23 0.39 -0.03 0.00 0.37 0.00 0.00 40.66 41.62 3hdh h LEU 118 CO -0.01 -0.63 0.43 -0.26 -0.34 0.00 0.00 178.44 177.63 3hdh h PHE 119 N -0.97 0.87 -0.85 1.25 0.04 -1.00 0.40 116.94 116.69 3hdh h PHE 119 Ca -0.06 0.01 0.10 0.00 2.80 0.00 0.00 57.97 60.81 3hdh h PHE 119 Cb 0.83 -0.29 -0.07 0.00 2.20 0.00 0.00 35.95 38.61 3hdh h PHE 119 CO -0.20 0.58 0.50 -0.22 -0.60 0.00 0.00 178.31 178.36 3hdh h LYS 120 N 0.92 0.81 0.17 1.51 3.64 -0.88 0.43 116.57 123.18 3hdh h LYS 120 Ca 0.24 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 3hdh h LYS 120 Cb -0.06 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.58 3hdh h LYS 120 CO -0.05 0.53 -0.08 -0.09 -2.27 0.00 0.00 179.45 177.49 3hdh h ARG 121 N 0.83 -0.23 -0.55 1.90 2.43 -0.07 -3.28 114.38 115.42 3hdh h ARG 121 Ca 0.41 0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.72 3hdh h ARG 121 Cb 0.37 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.94 3hdh h ARG 121 CO -0.25 0.19 0.38 -0.07 -1.51 0.00 0.00 179.97 178.71 3hdh h LEU 122 N -0.87 0.19 -2.25 3.80 3.38 0.25 -1.16 115.31 118.65 3hdh h LEU 122 Ca -0.02 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.00 3hdh h LEU 122 Cb 0.52 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3hdh h LEU 122 CO 0.04 0.11 0.22 -0.78 0.09 0.00 0.00 178.44 178.12 3hdh h ASP 123 N 0.21 0.00 0.91 -0.43 3.58 -0.21 -1.15 116.42 119.33 3hdh h ASP 123 Ca 0.26 0.00 -0.22 0.00 0.42 0.00 0.00 57.03 57.49 3hdh h ASP 123 Cb 0.75 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.77 3hdh h ASP 123 CO -0.05 0.00 -1.12 0.11 -2.88 0.00 0.00 179.24 175.31 3hdh h LYS 124 N 0.00 0.01 0.01 0.28 1.57 -1.35 -3.40 116.57 113.69 3hdh h LYS 124 Ca 0.08 -0.02 -0.40 0.00 -1.87 0.00 0.00 60.65 58.43 3hdh h LYS 124 Cb 0.51 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.77 3hdh h LYS 124 CO -0.00 0.93 -2.39 1.19 -0.57 0.00 0.00 179.45 178.61 3hdh n PHE 125 N -3.31 0.18 -1.13 -1.35 3.01 -0.53 -4.99 117.46 109.35 3hdh n PHE 125 Ca -0.03 0.05 -0.36 0.00 1.01 0.00 0.00 57.45 58.13 3hdh n PHE 125 Cb 0.96 -1.02 0.07 0.00 -0.01 0.00 0.00 39.48 39.48 3hdh n PHE 125 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3hdh n ALA 126 N -3.57 -2.47 -1.36 4.37 0.00 -0.67 -4.17 120.51 112.65 3hdh n ALA 126 Ca -0.47 -0.36 -0.30 0.00 0.00 0.00 0.00 53.44 52.31 3hdh n ALA 126 Cb 0.94 -1.69 0.10 0.00 0.00 0.00 0.00 19.45 18.80 3hdh n ALA 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hdh s ALA 127 N -2.03 2.10 0.18 0.00 0.00 -1.17 -4.86 121.76 115.97 3hdh s ALA 127 Ca 0.59 0.03 -0.13 0.00 0.00 0.00 0.00 51.96 52.45 3hdh s ALA 127 Cb -0.31 -3.20 0.14 0.00 0.00 0.00 0.00 23.12 19.75 3hdh s ALA 127 CO 0.64 -1.86 1.76 0.93 0.00 0.00 0.00 175.76 177.24 3hdh h GLU 128 N -1.19 0.38 0.00 0.00 5.08 -1.92 -2.35 114.58 114.57 3hdh h GLU 128 Ca -0.46 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 3hdh h GLU 128 Cb 1.25 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3hdh h GLU 128 CO 0.55 0.25 0.00 1.12 -1.00 0.00 0.00 179.01 179.93 3hdh h HIS 129 N 0.39 0.00 -3.08 4.33 2.07 -1.95 -3.46 115.15 113.45 3hdh h HIS 129 Ca 0.22 0.00 -0.53 0.00 -2.85 0.00 0.00 60.37 57.21 3hdh h HIS 129 Cb 0.19 0.00 0.08 0.00 2.57 0.00 0.00 27.41 30.25 3hdh h HIS 129 CO -0.14 0.00 0.94 0.99 -3.07 0.00 0.00 177.93 176.66 3hdh s THR 130 N -3.29 2.00 -0.16 6.12 2.01 -0.89 -4.98 115.64 116.45 3hdh s THR 130 Ca 0.05 0.00 -0.08 0.00 0.31 0.00 0.00 61.69 61.97 3hdh s THR 130 Cb 0.10 -3.00 -0.04 0.00 0.01 0.00 0.00 72.50 69.56 3hdh s THR 130 CO 0.45 0.00 0.12 -0.63 -0.69 0.00 0.00 174.62 173.87 3hdh s ILE 131 N 0.43 5.29 -0.14 1.82 1.01 -0.85 -4.93 121.20 123.83 3hdh s ILE 131 Ca 0.68 0.14 -0.07 0.00 0.00 0.00 0.00 60.65 61.40 3hdh s ILE 131 Cb -0.49 -3.36 -0.04 0.00 0.01 0.00 0.00 42.46 38.58 3hdh s ILE 131 CO 0.42 0.52 0.11 -0.36 0.00 0.00 0.00 174.94 175.63 3hdh s PHE 132 N -0.21 3.45 -0.05 3.97 0.08 -0.15 -0.97 117.98 124.09 3hdh s PHE 132 Ca 0.10 0.38 -0.02 0.00 0.12 0.00 0.00 56.93 57.51 3hdh s PHE 132 Cb -0.12 -1.97 0.03 0.00 -0.57 0.00 0.00 43.02 40.40 3hdh s PHE 132 CO 0.01 0.55 0.11 0.00 -0.10 0.00 0.00 175.22 175.79 3hdh s ALA 133 N -0.60 -0.20 0.07 5.36 0.00 -0.25 -1.49 121.76 124.65 3hdh s ALA 133 Ca 0.12 0.51 0.03 0.00 0.00 0.00 0.00 51.96 52.63 3hdh s ALA 133 Cb -0.12 -0.34 -0.04 0.00 0.00 0.00 0.00 23.12 22.62 3hdh s ALA 133 CO 0.02 -0.12 0.03 0.45 0.00 0.00 0.00 175.76 176.14 3hdh s SER 134 N 0.86 5.23 -0.21 0.00 0.15 -0.79 -0.76 113.70 118.18 3hdh s SER 134 Ca -0.07 -0.08 0.15 0.00 0.70 0.00 0.00 55.95 56.65 3hdh s SER 134 Cb -0.09 -1.33 0.71 0.00 -1.71 0.00 0.00 66.02 63.60 3hdh s SER 134 CO -0.04 0.20 1.62 -3.20 1.20 0.00 0.00 173.24 173.02 3hdh n ASN 135 N 0.69 5.00 -4.74 5.45 5.15 -0.42 -0.43 115.26 125.96 3hdh n ASN 135 Ca -0.11 -2.97 -0.42 0.00 -0.60 0.00 0.00 54.58 50.48 3hdh n ASN 135 Cb 0.52 -0.63 -0.01 0.00 -0.53 0.00 0.00 39.78 39.13 3hdh n ASN 135 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 3hdh n THR 136 N 0.16 1.19 -0.00 -0.44 5.66 -1.26 -4.73 114.28 114.85 3hdh n THR 136 Ca 0.25 -0.30 -0.17 0.00 -3.05 0.00 0.00 64.05 60.79 3hdh n THR 136 Cb 1.08 -1.92 -0.14 0.00 -1.55 0.00 0.00 70.33 67.80 3hdh n THR 136 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 3hdh n SER 137 N 1.87 1.69 -0.00 1.09 7.64 -1.26 -4.68 113.62 119.96 3hdh n SER 137 Ca 0.08 0.28 0.03 0.00 1.01 0.00 0.00 58.87 60.27 3hdh n SER 137 Cb 0.37 -0.58 -0.05 0.00 -1.01 0.00 0.00 64.21 62.94 3hdh n SER 137 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3hdh n SER 138 N -3.33 1.43 -4.81 6.43 3.41 -1.26 -4.50 113.62 110.99 3hdh n SER 138 Ca -0.27 -0.42 -0.26 0.00 -0.26 0.00 0.00 58.87 57.66 3hdh n SER 138 Cb 1.05 1.12 0.08 0.00 -0.26 0.00 0.00 64.21 66.21 3hdh n SER 138 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hdh s LEU 139 N -2.77 2.86 -0.16 1.04 1.43 -1.26 -4.96 118.68 114.87 3hdh s LEU 139 Ca 0.01 0.29 -0.22 0.00 -1.03 0.00 0.00 54.13 53.18 3hdh s LEU 139 Cb 0.05 -2.84 -0.03 0.00 0.03 0.00 0.00 46.19 43.40 3hdh s LEU 139 CO 0.30 -1.73 0.67 -1.10 0.23 0.00 0.00 176.35 174.71 3hdh s GLN 140 N -5.27 4.29 0.58 1.70 -0.21 -1.26 -4.91 119.66 114.58 3hdh s GLN 140 Ca 0.62 0.73 0.38 0.00 0.02 0.00 0.00 55.36 57.12 3hdh s GLN 140 Cb -0.09 -3.54 1.93 0.00 1.00 0.00 0.00 33.01 32.31 3hdh s GLN 140 CO 0.45 -0.16 2.16 0.82 -2.12 0.00 0.00 175.29 176.45 3hdh h ILE 141 N 5.05 0.00 0.04 1.08 1.08 -1.96 -2.22 117.51 120.59 3hdh h ILE 141 Ca -0.34 -0.18 -0.27 0.00 -0.39 0.00 0.00 64.86 63.69 3hdh h ILE 141 Cb 1.16 1.12 0.02 0.00 -3.07 0.00 0.00 36.82 36.05 3hdh h ILE 141 CO 0.78 0.00 -1.09 0.74 -0.69 0.00 0.00 178.15 177.89 3hdh h THR 142 N 0.00 1.32 0.32 -0.27 2.02 -1.94 -1.88 112.91 112.47 3hdh h THR 142 Ca 0.00 -2.39 -0.02 0.00 0.77 0.00 0.00 66.41 64.77 3hdh h THR 142 Cb 0.18 2.51 0.00 0.00 -1.74 0.00 0.00 68.15 69.10 3hdh h THR 142 CO 0.00 0.73 -0.15 0.28 0.37 0.00 0.00 175.52 176.75 3hdh h SER 143 N 0.31 -0.36 -0.27 4.18 0.02 -1.81 -1.50 113.55 114.12 3hdh h SER 143 Ca -0.14 -0.04 0.05 0.00 -0.84 0.00 0.00 61.79 60.83 3hdh h SER 143 Cb 1.75 0.09 -0.05 0.00 0.14 0.00 0.00 62.40 64.33 3hdh h SER 143 CO 0.21 -0.20 -0.08 -0.07 -1.14 0.00 0.00 176.83 175.55 3hdh h LEU 144 N -0.50 -0.27 -0.93 5.07 3.38 -1.60 -1.96 115.31 118.49 3hdh h LEU 144 Ca -0.04 0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.08 3hdh h LEU 144 Cb 0.38 0.18 -0.07 0.00 0.09 0.00 0.00 40.66 41.24 3hdh h LEU 144 CO 0.07 -0.10 0.59 0.00 0.09 0.00 0.00 178.44 179.09 3hdh h ALA 145 N 1.25 1.30 0.00 1.53 0.00 -1.20 -1.24 119.26 120.91 3hdh h ALA 145 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3hdh h ALA 145 Cb 0.21 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3hdh h ALA 145 CO -0.28 0.34 0.00 0.09 0.00 0.00 0.00 179.25 179.39 3hdh n ASN 146 N -4.57 0.00 -1.33 0.00 3.02 -0.58 -2.08 115.26 109.72 3hdh n ASN 146 Ca 0.14 -0.72 0.05 0.00 -0.03 0.00 0.00 54.58 54.03 3hdh n ASN 146 Cb 0.20 0.00 0.26 0.00 -0.61 0.00 0.00 39.78 39.63 3hdh n ASN 146 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hdh n ALA 147 N -1.00 3.26 -2.87 5.41 0.00 -0.47 -4.86 120.51 119.99 3hdh n ALA 147 Ca 0.17 -1.18 -0.10 0.00 0.00 0.00 0.00 53.44 52.33 3hdh n ALA 147 Cb 0.08 -1.07 -0.07 0.00 0.00 0.00 0.00 19.45 18.40 3hdh n ALA 147 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3hdh s THR 148 N -2.03 0.00 -0.22 0.00 -4.23 -0.89 -3.38 115.64 104.90 3hdh s THR 148 Ca 0.35 -1.58 0.14 0.00 -1.18 0.00 0.00 61.69 59.42 3hdh s THR 148 Cb 0.25 -2.26 0.55 0.00 1.34 0.00 0.00 72.50 72.38 3hdh s THR 148 CO 0.12 -0.02 1.47 0.35 -0.54 0.00 0.00 174.62 176.00 3hdh n THR 149 N -0.34 2.42 -0.50 3.99 -2.24 -1.26 -4.39 114.28 111.96 3hdh n THR 149 Ca -0.01 -2.06 0.06 0.00 -2.27 0.00 0.00 64.05 59.77 3hdh n THR 149 Cb 0.63 -0.28 0.13 0.00 -2.10 0.00 0.00 70.33 68.71 3hdh n THR 149 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3hdh n ARG 150 N -0.63 2.60 -0.35 -0.78 0.63 -1.26 -4.83 116.66 112.03 3hdh n ARG 150 Ca 0.26 -2.20 0.30 0.00 -0.92 0.00 0.00 57.85 55.29 3hdh n ARG 150 Cb 0.98 -1.38 0.50 0.00 0.45 0.00 0.00 32.46 33.01 3hdh n ARG 150 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 3hdh n GLN 151 N -0.40 -0.03 0.26 -0.14 3.00 -1.26 0.13 117.38 118.94 3hdh n GLN 151 Ca 0.12 0.92 0.13 0.00 -0.01 0.00 0.00 57.00 58.16 3hdh n GLN 151 Cb 0.53 -1.82 0.72 0.00 0.00 0.00 0.00 30.24 29.68 3hdh n GLN 151 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.06 177.44 3hdh h ASP 152 N 0.00 0.00 -0.81 1.08 2.03 -1.88 -2.85 116.42 113.99 3hdh h ASP 152 Ca 0.65 0.00 -0.58 0.00 -0.73 0.00 0.00 57.03 56.37 3hdh h ASP 152 Cb 2.10 0.00 -0.39 0.00 -0.83 0.00 0.00 39.33 40.20 3hdh h ASP 152 CO -0.34 0.12 -0.40 0.54 -1.03 0.00 0.00 179.24 178.13 3hdh n ARG 153 N -3.52 3.39 -4.24 4.15 1.74 0.34 -1.33 116.66 117.18 3hdh n ARG 153 Ca -0.01 -3.95 -0.18 0.00 -0.77 0.00 0.00 57.85 52.93 3hdh n ARG 153 Cb 0.26 -2.28 -0.15 0.00 -1.02 0.00 0.00 32.46 29.26 3hdh n ARG 153 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 3hdh s PHE 154 N -3.66 0.69 0.38 -1.55 2.19 -1.07 -0.98 117.98 113.99 3hdh s PHE 154 Ca 0.54 -0.15 -0.14 0.00 0.33 0.00 0.00 56.93 57.51 3hdh s PHE 154 Cb 0.43 -0.51 0.05 0.00 -1.31 0.00 0.00 43.02 41.69 3hdh s PHE 154 CO 0.03 -0.07 0.76 0.00 1.83 0.00 0.00 175.22 177.77 3hdh s ALA 155 N 0.19 -0.57 -0.14 11.12 0.00 -0.56 -4.61 121.76 127.19 3hdh s ALA 155 Ca -0.02 -0.84 -0.04 0.00 0.00 0.00 0.00 51.96 51.06 3hdh s ALA 155 Cb -0.07 0.72 -0.03 0.00 0.00 0.00 0.00 23.12 23.74 3hdh s ALA 155 CO -0.00 -0.97 -0.02 0.20 0.00 0.00 0.00 175.76 174.97 3hdh s GLY 156 N -3.09 1.77 -0.44 0.00 0.00 0.17 -1.88 107.32 103.84 3hdh s GLY 156 Ca 0.17 -0.81 0.04 0.00 0.00 0.00 0.00 44.72 44.12 3hdh s GLY 156 CO 0.13 -0.17 0.18 -2.27 0.00 0.00 0.00 173.10 170.96 3hdh s LEU 157 N 0.09 4.17 -0.38 0.66 2.96 0.42 0.60 118.68 127.21 3hdh s LEU 157 Ca 0.01 -2.61 -0.17 0.00 -0.22 0.00 0.00 54.13 51.14 3hdh s LEU 157 Cb -0.13 -1.53 0.00 0.00 0.50 0.00 0.00 46.19 45.03 3hdh s LEU 157 CO 0.02 -0.30 0.46 -2.28 -1.32 0.00 0.00 176.35 172.94 3hdh s HIS 158 N 0.29 3.17 0.56 5.38 5.65 0.14 -3.93 115.29 126.56 3hdh s HIS 158 Ca 0.15 -0.06 0.05 0.00 0.25 0.00 0.00 55.06 55.45 3hdh s HIS 158 Cb -0.23 -2.88 0.06 0.00 -1.18 0.00 0.00 32.58 28.35 3hdh s HIS 158 CO -0.04 -0.58 0.78 -0.06 -0.65 0.00 0.00 174.74 174.19 3hdh s PHE 159 N 2.25 2.17 0.00 3.88 0.40 -1.26 -0.67 117.98 124.75 3hdh s PHE 159 Ca 0.15 -0.36 0.05 0.00 -0.60 0.00 0.00 56.93 56.18 3hdh s PHE 159 Cb -0.16 -2.57 -0.02 0.00 0.51 0.00 0.00 43.02 40.78 3hdh s PHE 159 CO 0.13 -1.03 -0.16 -0.06 0.70 0.00 0.00 175.22 174.80 3hdh s PHE 160 N -2.72 1.45 0.05 0.36 0.40 -1.26 -4.97 117.98 111.29 3hdh s PHE 160 Ca 0.60 -0.30 -0.22 0.00 -0.60 0.00 0.00 56.93 56.41 3hdh s PHE 160 Cb -0.08 -0.91 -0.06 0.00 0.51 0.00 0.00 43.02 42.48 3hdh s PHE 160 CO 0.39 0.00 0.66 1.21 0.70 0.00 0.00 175.22 178.17 3hdh s ASN 161 N -0.60 7.12 -0.01 1.36 2.47 -1.26 -2.25 114.94 121.77 3hdh s ASN 161 Ca 0.06 1.33 -0.30 0.00 0.42 0.00 0.00 52.86 54.37 3hdh s ASN 161 Cb -0.07 -2.41 -0.03 0.00 -1.45 0.00 0.00 41.25 37.29 3hdh s ASN 161 CO -0.00 0.14 1.01 -2.16 -3.72 0.00 0.00 177.10 172.37 3hdh s PRO 162 N -0.54 4.53 0.19 0.43 0.04 -1.26 -4.91 135.00 133.48 3hdh s PRO 162 Ca 0.33 1.46 -0.15 0.00 0.04 0.00 0.00 61.00 62.68 3hdh s PRO 162 Cb -0.20 -3.46 0.19 0.00 0.04 0.00 0.00 34.50 31.07 3hdh s PRO 162 CO 0.20 -0.11 1.64 0.28 0.04 0.00 0.00 177.00 179.06 3hdh h VAL 163 N 4.81 0.45 -0.53 -0.36 2.07 -1.80 -0.99 116.25 119.90 3hdh h VAL 163 Ca -0.40 -0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.27 3hdh h VAL 163 Cb 1.21 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 3hdh h VAL 163 CO 0.77 0.00 0.38 -0.65 0.02 0.00 0.00 177.57 178.09 3hdh h PRO 164 N 0.00 0.02 0.11 1.57 0.11 -1.87 -2.99 132.00 128.95 3hdh h PRO 164 Ca 0.26 -0.00 -0.36 0.00 0.11 0.00 0.00 66.00 66.01 3hdh h PRO 164 Cb 0.40 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.48 3hdh h PRO 164 CO -0.57 0.01 -2.03 1.28 -0.21 0.00 0.00 178.00 176.49 3hdh n LEU 165 N -4.38 2.55 -4.65 2.35 4.77 -0.49 -4.89 117.00 112.26 3hdh n LEU 165 Ca 0.10 0.19 -0.43 0.00 -0.03 0.00 0.00 56.01 55.84 3hdh n LEU 165 Cb 0.60 -1.02 -0.02 0.00 -2.33 0.00 0.00 43.42 40.64 3hdh n LEU 165 CO 0.37 0.83 1.28 -0.04 -1.33 0.00 0.00 177.39 178.50 3hdh s MET 166 N -2.56 4.11 0.05 3.23 -1.94 -0.54 -4.87 119.30 116.79 3hdh s MET 166 Ca -0.22 1.90 0.28 0.00 -1.71 0.00 0.00 55.69 55.94 3hdh s MET 166 Cb 0.07 -3.93 1.12 0.00 2.01 0.00 0.00 34.83 34.11 3hdh s MET 166 CO 0.76 -0.90 1.88 1.63 -0.01 0.00 0.00 175.02 178.38 3hdh n LYS 167 N 7.09 0.06 -3.40 2.03 4.76 -1.26 -4.87 118.16 122.57 3hdh n LYS 167 Ca 0.16 0.06 -0.32 0.00 -2.87 0.00 0.00 58.31 55.34 3hdh n LYS 167 Cb 0.44 -1.58 -0.05 0.00 -1.84 0.00 0.00 35.03 32.00 3hdh n LYS 167 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3hdh s LEU 168 N -3.37 4.18 -0.15 -0.35 2.96 -1.26 0.15 118.68 120.83 3hdh s LEU 168 Ca 0.13 0.96 -0.11 0.00 -0.22 0.00 0.00 54.13 54.89 3hdh s LEU 168 Cb 0.17 -3.66 0.05 0.00 0.50 0.00 0.00 46.19 43.25 3hdh s LEU 168 CO 0.54 -0.06 0.38 0.54 -1.32 0.00 0.00 176.35 176.43 3hdh s VAL 169 N -1.79 -0.02 -0.24 1.68 0.11 -1.07 -4.24 120.40 114.84 3hdh s VAL 169 Ca 0.47 0.06 -0.08 0.00 -2.93 0.00 0.00 61.98 59.50 3hdh s VAL 169 Cb -0.11 -0.55 -0.04 0.00 -1.53 0.00 0.00 36.38 34.14 3hdh s VAL 169 CO 0.21 0.02 0.09 -1.61 -3.33 0.00 0.00 175.10 170.48 3hdh s GLU 170 N 0.88 3.79 -0.55 1.54 2.02 0.16 -2.19 118.70 124.35 3hdh s GLU 170 Ca -0.06 -0.41 -0.17 0.00 0.02 0.00 0.00 54.97 54.35 3hdh s GLU 170 Cb -0.06 -3.35 0.10 0.00 0.10 0.00 0.00 34.13 30.92 3hdh s GLU 170 CO -0.07 -0.06 0.58 0.08 0.02 0.00 0.00 175.26 175.81 3hdh s VAL 171 N 1.30 5.03 -0.26 2.63 1.01 -0.85 -0.68 120.40 128.57 3hdh s VAL 171 Ca 0.05 -1.13 -0.24 0.00 0.00 0.00 0.00 61.98 60.66 3hdh s VAL 171 Cb -0.15 -4.36 -0.00 0.00 0.00 0.00 0.00 36.38 31.87 3hdh s VAL 171 CO 0.04 -0.92 0.83 -0.69 0.00 0.00 0.00 175.10 174.36 3hdh s VAL 172 N 2.14 4.81 0.06 2.92 1.01 0.20 -1.76 120.40 129.78 3hdh s VAL 172 Ca 0.08 1.49 0.05 0.00 0.00 0.00 0.00 61.98 63.59 3hdh s VAL 172 Cb -0.26 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 31.95 3hdh s VAL 172 CO 0.06 -0.13 -0.07 -1.59 0.00 0.00 0.00 175.10 173.37 3hdh s LYS 173 N 2.90 2.37 0.43 2.72 -2.85 -0.64 0.41 119.74 125.09 3hdh s LYS 173 Ca 0.35 -0.87 0.08 0.00 -1.00 0.00 0.00 55.97 54.52 3hdh s LYS 173 Cb -0.15 -2.42 -0.00 0.00 -2.06 0.00 0.00 37.83 33.20 3hdh s LYS 173 CO 0.09 0.55 0.48 0.95 0.10 0.00 0.00 175.35 177.52 3hdh s THR 174 N -1.15 2.77 0.10 3.79 -4.23 -1.26 -2.40 115.64 113.26 3hdh s THR 174 Ca 0.21 -1.17 0.31 0.00 -1.18 0.00 0.00 61.69 59.85 3hdh s THR 174 Cb -0.11 -2.94 0.32 0.00 1.34 0.00 0.00 72.50 71.10 3hdh s THR 174 CO 0.12 0.00 1.95 -0.65 -0.54 0.00 0.00 174.62 175.50 3hdh h PRO 175 N 0.81 0.00 0.00 3.99 0.11 -1.98 -1.98 132.00 132.95 3hdh h PRO 175 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3hdh h PRO 175 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3hdh h PRO 175 CO 0.51 0.00 -0.86 -1.33 -0.21 0.00 0.00 178.00 176.11 3hdh n MET 176 N -2.62 0.28 -2.15 1.05 2.81 -1.26 -4.93 117.12 110.30 3hdh n MET 176 Ca -0.01 0.03 -0.42 0.00 -1.81 0.00 0.00 57.70 55.48 3hdh n MET 176 Cb 0.09 -1.62 -0.03 0.00 -0.71 0.00 0.00 33.22 30.96 3hdh n MET 176 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 3hdh s THR 177 N -3.18 3.53 0.49 2.03 2.01 -0.75 -3.76 115.64 116.03 3hdh s THR 177 Ca 0.05 0.94 -0.18 0.00 0.31 0.00 0.00 61.69 62.80 3hdh s THR 177 Cb 0.14 -3.60 -0.08 0.00 0.01 0.00 0.00 72.50 68.97 3hdh s THR 177 CO 0.77 -0.00 0.99 -0.94 -0.69 0.00 0.00 174.62 174.75 3hdh s SER 178 N 1.99 6.57 0.49 3.53 1.04 -0.44 -4.89 113.70 121.99 3hdh s SER 178 Ca 0.66 1.69 0.18 0.00 0.48 0.00 0.00 55.95 58.97 3hdh s SER 178 Cb -0.34 -2.53 1.21 0.00 0.10 0.00 0.00 66.02 64.46 3hdh s SER 178 CO 0.28 -0.62 2.06 -0.61 0.98 0.00 0.00 173.24 175.33 3hdh h GLN 179 N 1.26 0.00 -0.40 4.02 5.75 -1.94 -1.21 115.11 122.58 3hdh h GLN 179 Ca -0.48 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 57.99 3hdh h GLN 179 Cb 1.19 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.73 3hdh h GLN 179 CO 0.60 0.12 0.11 -0.22 -2.65 0.00 0.00 178.83 176.79 3hdh h LYS 180 N 0.00 0.63 -0.15 1.69 3.64 -1.94 -2.01 116.57 118.44 3hdh h LYS 180 Ca -0.00 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.23 3hdh h LYS 180 Cb 0.22 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 3hdh h LYS 180 CO 0.02 0.64 0.07 1.15 -2.27 0.00 0.00 179.45 179.06 3hdh h THR 181 N 0.50 1.12 0.20 1.00 2.02 -1.52 -2.44 112.91 113.79 3hdh h THR 181 Ca 0.13 -0.35 -0.00 0.00 0.77 0.00 0.00 66.41 66.96 3hdh h THR 181 Cb 0.29 1.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 3hdh h THR 181 CO -0.00 0.11 -0.30 -0.07 0.37 0.00 0.00 175.52 175.63 3hdh h LEU 182 N 0.12 -0.86 -0.87 2.58 3.38 -1.22 -0.81 115.31 117.63 3hdh h LEU 182 Ca 0.05 0.08 0.23 0.00 0.09 0.00 0.00 57.88 58.33 3hdh h LEU 182 Cb 0.11 0.30 -0.15 0.00 0.09 0.00 0.00 40.66 41.01 3hdh h LEU 182 CO -0.01 -0.36 0.14 -0.33 0.09 0.00 0.00 178.44 177.97 3hdh h GLU 183 N -0.52 0.14 -0.51 1.13 5.08 -1.39 1.05 114.58 119.56 3hdh h GLU 183 Ca -0.02 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.38 3hdh h GLU 183 Cb 0.48 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.65 3hdh h GLU 183 CO -0.09 0.09 0.24 1.03 -1.00 0.00 0.00 179.01 179.28 3hdh h SER 184 N 0.14 0.31 0.42 1.42 0.87 -1.00 0.21 113.55 115.94 3hdh h SER 184 Ca 0.53 0.04 -0.12 0.00 -1.23 0.00 0.00 61.79 61.01 3hdh h SER 184 Cb 1.04 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.97 3hdh h SER 184 CO -0.70 0.22 -0.51 -0.07 -0.53 0.00 0.00 176.83 175.23 3hdh h LEU 185 N 0.46 0.11 -0.22 2.23 3.38 0.23 -1.52 115.31 119.99 3hdh h LEU 185 Ca 0.23 -0.06 -0.20 0.00 0.09 0.00 0.00 57.88 57.95 3hdh h LEU 185 Cb 0.18 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 40.90 3hdh h LEU 185 CO -0.18 0.61 -0.63 0.58 0.09 0.00 0.00 178.44 178.91 3hdh h VAL 186 N 0.08 1.28 0.85 1.22 2.07 0.44 -1.52 116.25 120.68 3hdh h VAL 186 Ca -0.00 -1.82 -0.04 0.00 0.82 0.00 0.00 66.70 65.65 3hdh h VAL 186 Cb 0.94 1.82 0.01 0.00 -1.52 0.00 0.00 31.29 32.54 3hdh h VAL 186 CO 0.07 0.58 -0.41 0.44 0.02 0.00 0.00 177.57 178.28 3hdh h ASP 187 N 0.56 -0.97 -0.98 0.57 3.32 -0.90 -1.40 116.42 116.62 3hdh h ASP 187 Ca -0.02 0.03 0.19 0.00 0.02 0.00 0.00 57.03 57.25 3hdh h ASP 187 Cb 1.25 0.25 -0.18 0.00 0.22 0.00 0.00 39.33 40.87 3hdh h ASP 187 CO 0.13 -0.63 -0.28 0.15 -1.72 0.00 0.00 179.24 176.89 3hdh h PHE 188 N -1.26 -0.65 -0.23 4.55 3.57 -1.31 0.30 116.94 121.90 3hdh h PHE 188 Ca -0.12 0.09 0.06 0.00 3.53 0.00 0.00 57.97 61.53 3hdh h PHE 188 Cb 0.88 0.44 -0.06 0.00 2.79 0.00 0.00 35.95 40.00 3hdh h PHE 188 CO -0.00 -0.42 -0.17 0.77 -2.23 0.00 0.00 178.31 176.26 3hdh h SER 189 N -0.00 -0.56 -0.22 0.41 0.02 -0.96 -1.07 113.55 111.16 3hdh h SER 189 Ca 0.44 0.11 0.02 0.00 -0.84 0.00 0.00 61.79 61.53 3hdh h SER 189 Cb 0.69 0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.49 3hdh h SER 189 CO -1.00 -0.22 0.08 0.11 -1.14 0.00 0.00 176.83 174.67 3hdh h LYS 190 N -0.17 0.19 -0.87 3.45 1.57 0.62 -0.48 116.57 120.87 3hdh h LYS 190 Ca 0.13 -0.01 0.21 0.00 -1.87 0.00 0.00 60.65 59.11 3hdh h LYS 190 Cb 0.37 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.58 3hdh h LYS 190 CO -0.33 0.12 0.59 1.15 -0.57 0.00 0.00 179.45 180.41 3hdh h THR 191 N 0.19 0.66 0.00 -0.16 2.02 -0.29 2.09 112.91 117.43 3hdh h THR 191 Ca 0.10 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.17 3hdh h THR 191 Cb 0.06 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 66.80 3hdh h THR 191 CO -0.09 0.05 0.00 0.18 0.37 0.00 0.00 175.52 176.03 3hdh n LEU 192 N -4.45 0.00 -0.31 2.58 4.77 -0.23 -4.83 117.00 114.52 3hdh n LEU 192 Ca 0.18 0.30 -0.03 0.00 -0.03 0.00 0.00 56.01 56.44 3hdh n LEU 192 Cb 0.74 -0.30 -0.00 0.00 -2.33 0.00 0.00 43.42 41.52 3hdh n LEU 192 CO 0.33 -0.14 -0.04 0.61 -1.33 0.00 0.00 177.39 176.83 3hdh n GLY 193 N 0.13 0.31 3.64 -0.72 0.00 0.71 -4.98 105.19 104.28 3hdh n GLY 193 Ca 0.08 -0.80 -0.24 0.00 0.00 0.00 0.00 46.02 45.06 3hdh n GLY 193 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hdh s LYS 194 N -3.85 2.18 -0.24 1.61 -0.14 -0.92 -4.88 119.74 113.50 3hdh s LYS 194 Ca 0.00 -1.61 -0.01 0.00 -1.36 0.00 0.00 55.97 52.99 3hdh s LYS 194 Cb 0.00 -2.04 0.03 0.00 -1.68 0.00 0.00 37.83 34.14 3hdh s LYS 194 CO 0.00 0.22 -0.07 -1.58 -0.76 0.00 0.00 175.35 173.15 3hdh s HIS 195 N -2.44 3.06 0.19 3.18 5.65 0.39 -3.76 115.29 121.57 3hdh s HIS 195 Ca 0.34 -1.62 -0.30 0.00 0.25 0.00 0.00 55.06 53.73 3hdh s HIS 195 Cb -0.03 -2.04 -0.08 0.00 -1.18 0.00 0.00 32.58 29.25 3hdh s HIS 195 CO 0.20 -0.75 1.05 -1.25 -0.65 0.00 0.00 174.74 173.34 3hdh s PRO 196 N 1.31 4.66 -0.08 2.88 0.04 -1.26 -2.60 135.00 139.96 3hdh s PRO 196 Ca -0.00 1.65 0.02 0.00 0.04 0.00 0.00 61.00 62.70 3hdh s PRO 196 Cb -0.17 -3.28 0.02 0.00 0.04 0.00 0.00 34.50 31.11 3hdh s PRO 196 CO -0.05 0.19 -0.12 0.14 0.04 0.00 0.00 177.00 177.21 3hdh s VAL 197 N -0.50 1.14 0.11 -0.36 -7.23 -0.93 -4.99 120.40 107.64 3hdh s VAL 197 Ca 0.47 -0.46 -0.30 0.00 -1.81 0.00 0.00 61.98 59.88 3hdh s VAL 197 Cb -0.28 -1.06 -0.07 0.00 0.56 0.00 0.00 36.38 35.53 3hdh s VAL 197 CO 0.34 0.36 1.21 -0.55 -0.31 0.00 0.00 175.10 176.16 3hdh s SER 198 N 0.88 7.07 0.03 4.85 0.15 -1.26 -2.00 113.70 123.42 3hdh s SER 198 Ca -0.10 2.12 0.00 0.00 0.70 0.00 0.00 55.95 58.67 3hdh s SER 198 Cb -0.15 -2.59 -0.03 0.00 -1.71 0.00 0.00 66.02 61.54 3hdh s SER 198 CO 0.01 -0.44 -0.04 0.00 1.20 0.00 0.00 173.24 173.97 3hdh s LYS 200 N -2.24 3.49 -1.16 0.00 1.02 -1.26 -1.61 119.74 117.97 3hdh s LYS 200 Ca -0.08 0.02 -0.21 0.00 0.02 0.00 0.00 55.97 55.72 3hdh s LYS 200 Cb -0.04 -2.46 0.00 0.00 -0.52 0.00 0.00 37.83 34.81 3hdh s LYS 200 CO -0.03 -0.13 1.77 0.34 -0.92 0.00 0.00 175.35 176.38 3hdh s ASP 201 N -4.10 6.01 0.06 2.83 2.15 -1.01 -4.72 116.67 117.90 3hdh s ASP 201 Ca 0.46 -1.81 0.03 0.00 0.43 0.00 0.00 52.55 51.66 3hdh s ASP 201 Cb -0.10 -2.58 -0.03 0.00 -0.30 0.00 0.00 42.92 39.91 3hdh s ASP 201 CO 0.42 -2.01 -0.10 0.42 -0.17 0.00 0.00 175.17 173.73 3hdh s THR 202 N 7.18 0.77 0.18 1.71 -4.23 -1.26 -4.96 115.64 115.02 3hdh s THR 202 Ca 0.59 -1.31 -0.32 0.00 -1.18 0.00 0.00 61.69 59.48 3hdh s THR 202 Cb 0.00 -0.94 -0.12 0.00 1.34 0.00 0.00 72.50 72.78 3hdh s THR 202 CO 0.05 -0.42 1.76 -0.81 -0.54 0.00 0.00 174.62 174.67 3hdh n PRO 203 N 1.13 2.80 0.00 3.99 -0.04 -1.26 -1.99 135.00 139.63 3hdh n PRO 203 Ca -0.20 1.01 0.00 0.00 -0.04 0.00 0.00 63.50 64.27 3hdh n PRO 203 Cb 0.56 -2.88 0.00 0.00 -0.04 0.00 0.00 33.50 31.14 3hdh n PRO 203 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3hdh n GLY 204 N 4.07 2.75 7.00 0.55 0.00 -1.26 -4.66 105.19 113.63 3hdh n GLY 204 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3hdh n GLY 204 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3hdh n PHE 205 N -2.00 0.00 0.01 1.61 3.72 -0.84 -2.99 117.46 116.97 3hdh n PHE 205 Ca 0.00 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.39 3hdh n PHE 205 Cb 0.00 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.54 3hdh n PHE 205 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 3hdh n ILE 206 N 0.00 0.86 0.00 4.37 5.41 -1.26 -4.67 119.36 124.06 3hdh n ILE 206 Ca 0.00 0.27 0.00 0.00 1.00 0.00 0.00 62.75 64.02 3hdh n ILE 206 Cb 0.00 -1.53 0.00 0.00 -0.71 0.00 0.00 39.64 37.40 3hdh n ILE 206 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 3hdh n VAL 207 N -3.30 0.00 -0.34 1.39 0.31 -1.25 -2.68 118.33 112.46 3hdh n VAL 207 Ca -0.02 1.45 0.19 0.00 -0.01 0.00 0.00 64.34 65.96 3hdh n VAL 207 Cb 0.07 -2.22 0.42 0.00 -0.91 0.00 0.00 33.84 31.20 3hdh n VAL 207 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 3hdh h ASN 208 N 0.00 0.62 -0.06 4.52 2.35 -1.89 0.30 115.58 121.42 3hdh h ASN 208 Ca 0.00 0.13 -0.04 0.00 -0.55 0.00 0.00 56.30 55.84 3hdh h ASN 208 Cb 0.00 0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 3hdh h ASN 208 CO 0.00 0.09 -0.06 -0.09 -1.65 0.00 0.00 177.43 175.72 3hdh h ARG 209 N 0.53 0.28 0.00 0.81 9.65 -1.44 0.75 114.38 124.96 3hdh h ARG 209 Ca 0.64 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 59.47 3hdh h ARG 209 Cb 1.32 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.86 3hdh h ARG 209 CO -0.44 0.36 -1.70 1.28 2.80 0.00 0.00 179.97 182.27 3hdh n LEU 210 N -4.32 0.24 -0.11 3.80 4.77 -0.29 -4.35 117.00 116.74 3hdh n LEU 210 Ca -0.00 -0.13 -0.22 0.00 -0.03 0.00 0.00 56.01 55.63 3hdh n LEU 210 Cb 0.22 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.20 3hdh n LEU 210 CO 0.37 0.06 -0.58 -0.11 -1.33 0.00 0.00 177.39 175.81 3hdh n LEU 211 N -2.03 1.86 0.01 2.23 7.94 0.91 -4.18 117.00 123.73 3hdh n LEU 211 Ca -0.02 0.42 -0.12 0.00 -1.11 0.00 0.00 56.01 55.19 3hdh n LEU 211 Cb 0.48 -0.95 -0.07 0.00 0.53 0.00 0.00 43.42 43.41 3hdh n LEU 211 CO 0.43 0.27 0.81 0.58 -1.11 0.00 0.00 177.39 178.36 3hdh h VAL 212 N -1.00 1.13 -0.95 1.96 2.07 -1.08 -1.21 116.25 117.17 3hdh h VAL 212 Ca -0.36 -0.37 0.18 0.00 0.82 0.00 0.00 66.70 66.96 3hdh h VAL 212 Cb 1.29 1.31 -0.08 0.00 -1.52 0.00 0.00 31.29 32.30 3hdh h VAL 212 CO -0.22 0.10 0.60 -0.65 0.02 0.00 0.00 177.57 177.43 3hdh h PRO 213 N -0.09 0.64 -0.35 1.57 0.11 -1.76 0.16 132.00 132.28 3hdh h PRO 213 Ca 0.01 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.06 3hdh h PRO 213 Cb 0.15 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 3hdh h PRO 213 CO -0.00 0.42 0.12 -0.92 -0.21 0.00 0.00 178.00 177.41 3hdh h TYR 214 N 0.66 0.55 -0.91 0.65 3.20 -1.60 -1.97 116.97 117.55 3hdh h TYR 214 Ca 0.50 -0.05 0.01 0.00 3.14 0.00 0.00 58.73 62.34 3hdh h TYR 214 Cb 0.90 -0.16 -0.05 0.00 1.54 0.00 0.00 36.73 38.96 3hdh h TYR 214 CO -0.00 0.52 0.60 -0.07 -1.64 0.00 0.00 178.16 177.57 3hdh h LEU 215 N 0.41 1.03 0.16 2.82 3.38 0.47 -2.72 115.31 120.87 3hdh h LEU 215 Ca 0.11 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3hdh h LEU 215 Cb 0.23 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3hdh h LEU 215 CO -0.01 0.74 -0.08 0.40 0.09 0.00 0.00 178.44 179.58 3hdh h ILE 216 N 1.21 0.93 -1.24 1.22 1.08 -1.05 -2.56 117.51 117.10 3hdh h ILE 216 Ca 0.34 -0.43 0.38 0.00 -0.39 0.00 0.00 64.86 64.76 3hdh h ILE 216 Cb -0.12 1.19 -0.11 0.00 -3.07 0.00 0.00 36.82 34.71 3hdh h ILE 216 CO -0.08 0.10 0.81 -0.33 -0.69 0.00 0.00 178.15 177.96 3hdh h GLU 217 N -0.43 0.17 -0.01 2.37 4.39 -1.16 1.89 114.58 121.80 3hdh h GLU 217 Ca -0.02 -0.01 -0.12 0.00 0.34 0.00 0.00 59.36 59.55 3hdh h GLU 217 Cb 0.33 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.93 3hdh h GLU 217 CO 0.04 0.11 -0.54 0.00 -1.16 0.00 0.00 179.01 177.46 3hdh h ALA 218 N 1.57 1.09 -0.01 3.43 0.00 -1.16 0.18 119.26 124.37 3hdh h ALA 218 Ca 0.73 -0.50 -0.13 0.00 0.00 0.00 0.00 54.91 55.02 3hdh h ALA 218 Cb 2.24 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 19.95 3hdh h ALA 218 CO -0.34 0.68 -0.49 0.28 0.00 0.00 0.00 179.25 179.38 3hdh h VAL 219 N 0.02 1.46 -0.53 0.00 2.07 0.30 -2.45 116.25 117.10 3hdh h VAL 219 Ca -0.00 -2.02 0.05 0.00 0.82 0.00 0.00 66.70 65.54 3hdh h VAL 219 Cb 0.97 2.62 -0.05 0.00 -1.52 0.00 0.00 31.29 33.31 3hdh h VAL 219 CO 0.07 0.58 0.27 0.03 0.02 0.00 0.00 177.57 178.55 3hdh h ARG 220 N -0.21 0.51 0.00 1.57 3.08 -0.11 0.21 114.38 119.43 3hdh h ARG 220 Ca -0.06 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 3hdh h ARG 220 Cb 1.21 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 31.14 3hdh h ARG 220 CO 0.10 0.34 -0.02 1.25 -1.07 0.00 0.00 179.97 180.56 3hdh h LEU 221 N 0.53 0.00 0.04 3.04 6.46 -0.62 -1.60 115.31 123.15 3hdh h LEU 221 Ca 0.24 0.00 -0.28 0.00 -0.12 0.00 0.00 57.88 57.72 3hdh h LEU 221 Cb 0.14 0.00 0.02 0.00 -0.73 0.00 0.00 40.66 40.09 3hdh h LEU 221 CO -0.16 0.02 -1.17 0.22 -0.62 0.00 0.00 178.44 176.73 3hdh h TYR 222 N 0.00 0.81 -0.58 1.25 3.20 -0.32 -3.24 116.97 118.10 3hdh h TYR 222 Ca -0.00 -0.51 -0.05 0.00 3.14 0.00 0.00 58.73 61.31 3hdh h TYR 222 Cb 0.04 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.22 3hdh h TYR 222 CO 0.00 1.36 0.15 0.93 -1.64 0.00 0.00 178.16 178.95 3hdh h GLU 223 N 0.23 0.89 0.00 1.82 5.08 0.23 -2.47 114.58 120.36 3hdh h GLU 223 Ca -0.15 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 3hdh h GLU 223 Cb 1.84 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.96 3hdh h GLU 223 CO 0.21 0.79 0.00 0.54 -1.00 0.00 0.00 179.01 179.56 3hdh n ARG 224 N -4.27 0.35 -0.97 2.33 1.74 -0.88 -4.88 116.66 110.08 3hdh n ARG 224 Ca 0.04 0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 3hdh n ARG 224 Cb 0.23 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.17 3hdh n ARG 224 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hdh n GLY 225 N 0.41 0.56 0.29 -0.13 0.00 -0.93 -4.90 105.19 100.50 3hdh n GLY 225 Ca 0.11 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.31 3hdh n GLY 225 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3hdh h ASP 226 N 0.00 0.00 -5.04 1.61 5.19 -1.80 -3.45 116.42 112.92 3hdh h ASP 226 Ca 0.00 0.00 0.10 0.00 -0.62 0.00 0.00 57.03 56.51 3hdh h ASP 226 Cb 0.11 0.00 -0.10 0.00 0.18 0.00 0.00 39.33 39.52 3hdh h ASP 226 CO 0.00 0.02 0.38 0.00 -3.12 0.00 0.00 179.24 176.52 3hdh s ALA 227 N -3.87 -1.59 0.42 3.45 0.00 -1.26 -5.10 121.76 113.82 3hdh s ALA 227 Ca -0.01 0.29 -0.01 0.00 0.00 0.00 0.00 51.96 52.23 3hdh s ALA 227 Cb 0.11 0.68 -0.02 0.00 0.00 0.00 0.00 23.12 23.88 3hdh s ALA 227 CO 0.51 -0.92 0.65 -1.54 0.00 0.00 0.00 175.76 174.46 3hdh s SER 228 N -2.80 6.08 0.06 0.00 1.04 -1.26 -4.58 113.70 112.25 3hdh s SER 228 Ca 0.08 0.47 -0.31 0.00 0.48 0.00 0.00 55.95 56.67 3hdh s SER 228 Cb -0.02 -1.85 -0.16 0.00 0.10 0.00 0.00 66.02 64.08 3hdh s SER 228 CO -0.02 -0.53 1.47 0.11 0.98 0.00 0.00 173.24 175.26 3hdh h LYS 229 N 0.49 -0.95 -0.86 4.02 1.57 -1.97 -1.63 116.57 117.26 3hdh h LYS 229 Ca -0.48 0.06 0.15 0.00 -1.87 0.00 0.00 60.65 58.52 3hdh h LYS 229 Cb 1.23 0.22 -0.15 0.00 0.08 0.00 0.00 32.23 33.61 3hdh h LYS 229 CO 0.60 -0.63 -0.32 0.93 -0.57 0.00 0.00 179.45 179.45 3hdh h GLU 230 N -0.98 -0.04 -0.63 3.15 3.07 -2.00 -0.88 114.58 116.27 3hdh h GLU 230 Ca -0.08 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.75 3hdh h GLU 230 Cb 0.80 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.69 3hdh h GLU 230 CO 0.05 -0.03 0.28 -0.44 -1.40 0.00 0.00 179.01 177.48 3hdh h ASP 231 N -0.04 0.84 -0.95 1.42 5.19 -1.94 -1.57 116.42 119.36 3hdh h ASP 231 Ca 0.34 -0.15 0.05 0.00 -0.62 0.00 0.00 57.03 56.65 3hdh h ASP 231 Cb 0.60 -0.22 -0.06 0.00 0.18 0.00 0.00 39.33 39.84 3hdh h ASP 231 CO -0.88 0.75 0.61 0.40 -3.12 0.00 0.00 179.24 177.00 3hdh h ILE 232 N 0.87 1.13 0.55 0.35 2.04 -0.17 0.31 117.51 122.59 3hdh h ILE 232 Ca 0.21 -0.40 -0.03 0.00 1.00 0.00 0.00 64.86 65.65 3hdh h ILE 232 Cb 0.15 -0.13 0.01 0.00 -0.74 0.00 0.00 36.82 36.10 3hdh h ILE 232 CO -0.02 0.21 -0.27 0.44 0.00 0.00 0.00 178.15 178.51 3hdh h ASP 233 N 1.16 -0.63 -0.92 1.72 3.32 -1.16 -1.07 116.42 118.85 3hdh h ASP 233 Ca 0.39 0.02 0.23 0.00 0.02 0.00 0.00 57.03 57.69 3hdh h ASP 233 Cb 0.06 0.16 -0.17 0.00 0.22 0.00 0.00 39.33 39.61 3hdh h ASP 233 CO -0.14 -0.28 -0.02 0.74 -1.72 0.00 0.00 179.24 177.81 3hdh h THR 234 N -1.08 0.12 0.15 0.35 2.02 -1.06 0.99 112.91 114.39 3hdh h THR 234 Ca -0.08 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.09 3hdh h THR 234 Cb 0.57 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 3hdh h THR 234 CO 0.12 0.01 -0.12 0.00 0.37 0.00 0.00 175.52 175.90 3hdh h ALA 235 N 1.90 -0.26 -0.76 6.16 0.00 -0.27 0.82 119.26 126.85 3hdh h ALA 235 Ca 0.52 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.35 3hdh h ALA 235 Cb 0.98 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 3hdh h ALA 235 CO -0.86 -0.66 0.33 0.52 0.00 0.00 0.00 179.25 178.58 3hdh h MET 236 N -0.28 1.11 0.14 0.00 2.07 0.46 0.46 114.93 118.89 3hdh h MET 236 Ca -0.00 -0.18 -0.01 0.00 -2.07 0.00 0.00 59.70 57.44 3hdh h MET 236 Cb 0.26 -0.19 0.00 0.00 -1.87 0.00 0.00 31.60 29.80 3hdh h MET 236 CO -0.02 0.89 -0.07 0.87 1.07 0.00 0.00 176.91 179.65 3hdh h LYS 237 N 1.10 -0.18 0.00 1.72 1.57 -0.79 -1.08 116.57 118.91 3hdh h LYS 237 Ca 0.26 0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 58.91 3hdh h LYS 237 Cb 0.17 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 3hdh h LYS 237 CO -0.03 0.18 -0.84 -0.07 -0.57 0.00 0.00 179.45 178.13 3hdh h LEU 238 N -0.59 0.00 0.00 2.94 3.38 -0.83 -2.18 115.31 118.03 3hdh h LEU 238 Ca -0.02 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.81 3hdh h LEU 238 Cb 0.45 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 3hdh h LEU 238 CO 0.03 0.61 -1.90 0.61 0.09 0.00 0.00 178.44 177.87 3hdh n GLY 239 N 1.30 -1.08 0.02 0.83 0.00 0.16 -4.42 105.19 102.00 3hdh n GLY 239 Ca -0.02 -0.36 0.04 0.00 0.00 0.00 0.00 46.02 45.68 3hdh n GLY 239 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hdh n ALA 240 N -2.42 3.05 -1.58 4.61 0.00 -0.43 -5.01 120.51 118.73 3hdh n ALA 240 Ca -0.13 -0.26 -0.05 0.00 0.00 0.00 0.00 53.44 53.00 3hdh n ALA 240 Cb 0.79 -0.30 -0.01 0.00 0.00 0.00 0.00 19.45 19.92 3hdh n ALA 240 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hdh n GLY 241 N 1.15 0.51 3.80 0.00 0.00 -0.82 -4.99 105.19 104.83 3hdh n GLY 241 Ca 0.02 -0.75 -0.36 0.00 0.00 0.00 0.00 46.02 44.93 3hdh n GLY 241 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hdh s TYR 242 N -2.23 3.59 0.16 1.61 1.51 -1.09 -4.97 117.35 115.94 3hdh s TYR 242 Ca 0.00 1.69 -0.15 0.00 -1.01 0.00 0.00 57.07 57.60 3hdh s TYR 242 Cb 0.00 -2.86 0.04 0.00 -0.11 0.00 0.00 41.96 39.03 3hdh s TYR 242 CO 0.00 0.15 1.81 -1.35 -1.11 0.00 0.00 175.55 175.05 3hdh h PRO 243 N 2.88 0.64 -4.85 -1.71 0.11 -1.91 -3.39 132.00 123.77 3hdh h PRO 243 Ca -0.47 -0.05 -0.38 0.00 0.11 0.00 0.00 66.00 65.20 3hdh h PRO 243 Cb 1.19 -0.14 -0.26 0.00 0.11 0.00 0.00 31.00 31.90 3hdh h PRO 243 CO 0.64 0.45 -0.77 -1.64 -0.21 0.00 0.00 178.00 176.46 3hdh s MET 244 N -6.07 0.73 0.73 1.05 -1.94 -1.26 -5.00 119.30 107.54 3hdh s MET 244 Ca -0.13 -0.52 -0.13 0.00 -1.71 0.00 0.00 55.69 53.20 3hdh s MET 244 Cb 0.12 -0.69 0.04 0.00 2.01 0.00 0.00 34.83 36.31 3hdh s MET 244 CO 0.74 0.18 1.12 0.20 -0.01 0.00 0.00 175.02 177.24 3hdh s GLY 245 N -0.72 1.96 0.47 -0.03 0.00 -1.26 -4.75 107.32 102.99 3hdh s GLY 245 Ca 0.00 0.48 0.19 0.00 0.00 0.00 0.00 44.72 45.39 3hdh s GLY 245 CO 0.00 0.84 1.98 -0.56 0.00 0.00 0.00 173.10 175.37 3hdh h PRO 246 N -0.58 0.22 -0.01 2.90 0.13 -1.88 -1.23 132.00 131.55 3hdh h PRO 246 Ca -0.45 -0.01 -0.24 0.00 -0.87 0.00 0.00 66.00 64.42 3hdh h PRO 246 Cb 1.25 -0.05 0.01 0.00 0.13 0.00 0.00 31.00 32.34 3hdh h PRO 246 CO 0.52 0.15 -0.96 0.74 -0.23 0.00 0.00 178.00 178.22 3hdh h PHE 247 N 0.23 0.79 0.60 1.56 0.04 -1.91 -2.35 116.94 115.91 3hdh h PHE 247 Ca 0.27 -0.42 -0.03 0.00 2.80 0.00 0.00 57.97 60.59 3hdh h PHE 247 Cb 0.76 -0.09 0.01 0.00 2.20 0.00 0.00 35.95 38.82 3hdh h PHE 247 CO -0.00 1.25 -0.29 0.93 -0.60 0.00 0.00 178.31 179.60 3hdh h GLU 248 N 0.31 -0.78 -0.98 1.51 5.08 -1.83 -2.95 114.58 114.95 3hdh h GLU 248 Ca -0.09 0.05 0.25 0.00 -1.00 0.00 0.00 59.36 58.57 3hdh h GLU 248 Cb 1.59 0.18 -0.18 0.00 0.50 0.00 0.00 28.75 30.84 3hdh h GLU 248 CO 0.18 -0.47 -0.06 -0.11 -1.00 0.00 0.00 179.01 177.54 3hdh n LEU 249 N -5.34 -0.19 0.07 1.33 7.94 -0.50 0.17 117.00 120.48 3hdh n LEU 249 Ca -0.11 1.67 0.03 0.00 -1.11 0.00 0.00 56.01 56.48 3hdh n LEU 249 Cb 0.35 -0.58 0.40 0.00 0.53 0.00 0.00 43.42 44.12 3hdh n LEU 249 CO 0.30 -1.66 0.99 -0.07 -1.11 0.00 0.00 177.39 175.83 3hdh h LEU 250 N 0.00 0.33 -0.59 -1.96 3.38 -1.38 -0.40 115.31 114.69 3hdh h LEU 250 Ca 0.55 -0.05 -0.15 0.00 0.09 0.00 0.00 57.88 58.33 3hdh h LEU 250 Cb 1.06 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 3hdh h LEU 250 CO -0.95 0.38 -0.70 0.44 0.09 0.00 0.00 178.44 177.70 3hdh h ASP 251 N 0.36 0.03 -0.01 -0.43 5.19 0.19 0.04 116.42 121.80 3hdh h ASP 251 Ca 0.08 -0.02 -0.03 0.00 -0.62 0.00 0.00 57.03 56.45 3hdh h ASP 251 Cb 0.22 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 39.72 3hdh h ASP 251 CO 0.00 0.72 -0.10 0.22 -3.12 0.00 0.00 179.24 176.96 3hdh h TYR 252 N 0.02 0.11 0.00 4.55 3.20 -0.35 0.01 116.97 124.51 3hdh h TYR 252 Ca -0.01 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.80 3hdh h TYR 252 Cb 1.24 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.50 3hdh h TYR 252 CO 0.00 0.82 0.00 -0.39 -1.64 0.00 0.00 178.16 176.95 3hdh h VAL 253 N -0.62 0.00 -0.14 1.81 -1.51 -1.15 -3.45 116.25 111.19 3hdh h VAL 253 Ca -0.01 -0.46 0.00 0.00 -1.23 0.00 0.00 66.70 65.00 3hdh h VAL 253 Cb 0.84 1.40 0.00 0.00 -2.13 0.00 0.00 31.29 31.40 3hdh h VAL 253 CO 0.02 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.97 3hdh n GLY 254 N 0.98 -1.19 0.27 5.19 0.00 -0.01 -4.65 105.19 105.79 3hdh n GLY 254 Ca 0.05 -1.11 -0.08 0.00 0.00 0.00 0.00 46.02 44.88 3hdh n GLY 254 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hdh h LEU 255 N 0.00 0.86 -1.14 0.99 3.38 0.16 -1.78 115.31 117.78 3hdh h LEU 255 Ca 0.00 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.70 3hdh h LEU 255 Cb 0.00 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 3hdh h LEU 255 CO 0.00 0.84 -0.01 -2.24 0.09 0.00 0.00 178.44 177.12 3hdh h ASP 256 N 0.84 0.56 0.41 -0.43 2.03 -1.92 1.43 116.42 119.34 3hdh h ASP 256 Ca 0.19 -0.12 -0.02 0.00 -0.73 0.00 0.00 57.03 56.35 3hdh h ASP 256 Cb 0.29 -0.15 0.00 0.00 -0.83 0.00 0.00 39.33 38.65 3hdh h ASP 256 CO -0.01 0.64 -0.20 0.74 -1.03 0.00 0.00 179.24 179.38 3hdh h THR 257 N 0.56 0.60 -0.22 1.15 2.02 -1.77 0.15 112.91 115.40 3hdh h THR 257 Ca 0.12 -0.17 -0.02 0.00 0.77 0.00 0.00 66.41 67.10 3hdh h THR 257 Cb 0.37 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 3hdh h THR 257 CO 0.01 0.03 0.06 0.74 0.37 0.00 0.00 175.52 176.74 3hdh h THR 258 N -0.65 1.20 -0.07 3.16 2.02 -0.95 -2.46 112.91 115.16 3hdh h THR 258 Ca -0.06 -0.65 0.03 0.00 0.77 0.00 0.00 66.41 66.51 3hdh h THR 258 Cb 0.48 1.22 -0.04 0.00 -1.74 0.00 0.00 68.15 68.06 3hdh h THR 258 CO 0.09 0.21 -0.16 0.50 0.37 0.00 0.00 175.52 176.53 3hdh h LYS 259 N 0.18 -0.22 -0.33 6.66 3.64 0.20 0.15 116.57 126.85 3hdh h LYS 259 Ca 0.07 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.53 3hdh h LYS 259 Cb 0.26 0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 32.04 3hdh h LYS 259 CO -0.00 -0.15 -0.34 0.35 -2.27 0.00 0.00 179.45 177.04 3hdh h PHE 260 N -0.23 -0.96 -0.06 1.91 3.57 -0.59 -0.91 116.94 119.67 3hdh h PHE 260 Ca 0.07 0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.65 3hdh h PHE 260 Cb 0.33 0.47 -0.02 0.00 2.79 0.00 0.00 35.95 39.52 3hdh h PHE 260 CO -0.24 -0.40 -0.03 0.82 -2.23 0.00 0.00 178.31 176.23 3hdh h ILE 261 N -0.30 0.89 -0.70 1.41 2.04 -1.01 -2.16 117.51 117.69 3hdh h ILE 261 Ca 0.15 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.03 3hdh h ILE 261 Cb 0.55 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 37.48 3hdh h ILE 261 CO -0.50 0.00 0.44 -0.29 0.00 0.00 0.00 178.15 177.80 3hdh h ILE 262 N -0.03 1.12 -0.37 -0.67 2.10 -0.52 -1.91 117.51 117.23 3hdh h ILE 262 Ca 0.04 -0.30 -0.02 0.00 1.08 0.00 0.00 64.86 65.66 3hdh h ILE 262 Cb 0.08 0.16 -0.02 0.00 -1.09 0.00 0.00 36.82 35.96 3hdh h ILE 262 CO -0.08 0.16 0.15 0.44 -1.08 0.00 0.00 178.15 177.74 3hdh h ASP 263 N 0.88 0.50 -0.41 2.19 3.32 -1.09 0.15 116.42 121.95 3hdh h ASP 263 Ca 0.27 -0.16 0.08 0.00 0.02 0.00 0.00 57.03 57.25 3hdh h ASP 263 Cb -0.02 -0.13 -0.08 0.00 0.22 0.00 0.00 39.33 39.33 3hdh h ASP 263 CO -0.09 0.52 -0.11 1.23 -1.72 0.00 0.00 179.24 179.06 3hdh h GLY 264 N 0.45 0.28 0.94 2.75 0.00 -0.92 0.23 103.07 106.80 3hdh h GLY 264 Ca 0.12 0.15 -0.05 0.00 0.00 0.00 0.00 47.33 47.55 3hdh h GLY 264 CO -0.01 -0.16 0.05 1.49 0.00 0.00 0.00 176.54 177.91 3hdh h TRP 265 N -0.01 0.72 -1.00 5.60 6.55 -1.20 -2.77 115.95 123.84 3hdh h TRP 265 Ca 0.20 -0.11 0.23 0.00 0.95 0.00 0.00 58.89 60.16 3hdh h TRP 265 Cb 0.32 -0.20 -0.10 0.00 -0.86 0.00 0.00 29.16 28.32 3hdh h TRP 265 CO -0.37 0.71 0.63 1.25 -1.05 0.00 0.00 178.44 179.61 3hdh h HIS 266 N 0.52 0.84 0.11 0.49 2.76 0.34 -1.34 115.15 118.88 3hdh h HIS 266 Ca 0.12 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.31 3hdh h HIS 266 Cb 0.39 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 29.10 3hdh h HIS 266 CO 0.03 0.13 -0.05 0.93 -1.30 0.00 0.00 177.93 177.67 3hdh h GLU 267 N 0.55 -0.14 -0.04 5.26 5.08 -0.74 0.63 114.58 125.18 3hdh h GLU 267 Ca 0.58 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.95 3hdh h GLU 267 Cb 1.20 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.49 3hdh h GLU 267 CO -0.34 0.29 0.00 -1.33 -1.00 0.00 0.00 179.01 176.64 3hdh n MET 268 N -4.94 0.07 0.00 2.33 2.81 -0.53 -3.42 117.12 113.45 3hdh n MET 268 Ca -0.09 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.80 3hdh n MET 268 Cb 0.26 -1.02 0.00 0.00 -0.71 0.00 0.00 33.22 31.74 3hdh n MET 268 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3hdh n ASP 269 N 0.10 0.00 0.08 7.83 2.03 -1.08 -5.06 116.55 120.45 3hdh n ASP 269 Ca 0.00 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.26 3hdh n ASP 269 Cb 0.01 0.00 0.14 0.00 -0.72 0.00 0.00 41.12 40.55 3hdh n ASP 269 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 3hdh h SER 270 N 0.00 0.31 0.00 1.67 0.87 -0.89 -3.16 113.55 112.34 3hdh h SER 270 Ca 0.00 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.40 3hdh h SER 270 Cb 0.00 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 61.87 3hdh h SER 270 CO 0.00 0.79 0.00 1.67 -0.53 0.00 0.00 176.83 178.76 3hdh n GLN 271 N -3.92 0.81 -3.34 2.24 7.27 -1.26 -4.76 117.38 114.43 3hdh n GLN 271 Ca -0.02 0.00 -0.38 0.00 0.07 0.00 0.00 57.00 56.67 3hdh n GLN 271 Cb 0.58 -1.11 -0.07 0.00 2.41 0.00 0.00 30.24 32.05 3hdh n GLN 271 CO 0.00 0.00 0.00 1.21 0.07 0.00 0.00 177.06 178.34 3hdh s ASN 272 N -1.37 6.59 0.19 1.69 3.84 -1.20 -4.99 114.94 119.69 3hdh s ASN 272 Ca 0.09 0.70 -0.12 0.00 0.21 0.00 0.00 52.86 53.73 3hdh s ASN 272 Cb 0.04 -2.27 0.11 0.00 -0.55 0.00 0.00 41.25 38.58 3hdh s ASN 272 CO 0.07 -0.04 1.85 1.55 -2.79 0.00 0.00 177.10 177.74 3hdh h PRO 273 N 7.00 0.80 0.00 0.43 0.13 -1.91 -2.95 132.00 135.50 3hdh h PRO 273 Ca -0.38 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 3hdh h PRO 273 Cb 1.17 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.12 3hdh h PRO 273 CO 0.75 0.53 0.00 1.28 -0.23 0.00 0.00 178.00 180.32 3hdh n LEU 274 N -4.67 0.09 -0.21 1.56 4.77 -1.26 -2.68 117.00 114.61 3hdh n LEU 274 Ca 0.05 0.54 0.02 0.00 -0.03 0.00 0.00 56.01 56.59 3hdh n LEU 274 Cb 0.03 -0.55 0.04 0.00 -2.33 0.00 0.00 43.42 40.61 3hdh n LEU 274 CO 0.35 -0.52 0.46 0.49 -1.33 0.00 0.00 177.39 176.84 3hdh n PHE 275 N -1.62 0.11 -1.76 -1.77 3.01 -1.11 -4.84 117.46 109.48 3hdh n PHE 275 Ca 0.00 -0.32 -0.39 0.00 1.01 0.00 0.00 57.45 57.76 3hdh n PHE 275 Cb 0.04 -0.03 0.03 0.00 -0.01 0.00 0.00 39.48 39.52 3hdh n PHE 275 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 3hdh n GLN 276 N 0.01 1.93 -2.24 -1.08 1.13 -1.09 -4.56 117.38 111.47 3hdh n GLN 276 Ca 0.04 0.70 -0.42 0.00 -1.94 0.00 0.00 57.00 55.37 3hdh n GLN 276 Cb 0.24 -2.61 -0.03 0.00 0.11 0.00 0.00 30.24 27.94 3hdh n GLN 276 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 3hdh s PRO 277 N -2.74 4.34 -0.65 -1.09 0.04 -1.26 -4.97 135.00 128.67 3hdh s PRO 277 Ca 0.68 1.97 -0.27 0.00 0.04 0.00 0.00 61.00 63.42 3hdh s PRO 277 Cb -0.43 -3.36 0.04 0.00 0.04 0.00 0.00 34.50 30.79 3hdh s PRO 277 CO 0.52 -0.43 1.18 0.45 0.04 0.00 0.00 177.00 178.76 3hdh s SER 278 N 1.30 6.28 0.27 6.66 0.15 -1.26 -4.88 113.70 122.23 3hdh s SER 278 Ca 0.63 -0.29 -0.00 0.00 0.70 0.00 0.00 55.95 56.98 3hdh s SER 278 Cb -0.34 -2.53 0.62 0.00 -1.71 0.00 0.00 66.02 62.06 3hdh s SER 278 CO 0.29 -1.60 1.67 -0.65 1.20 0.00 0.00 173.24 174.15 3hdh h PRO 279 N 9.73 0.26 0.00 5.44 0.11 -1.98 1.95 132.00 147.51 3hdh h PRO 279 Ca -0.27 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.82 3hdh h PRO 279 Cb 1.06 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 3hdh h PRO 279 CO 1.22 0.17 -0.03 0.00 -0.21 0.00 0.00 178.00 179.15 3hdh h ALA 280 N 1.70 1.11 0.00 -0.75 0.00 -1.97 -1.18 119.26 118.18 3hdh h ALA 280 Ca 0.50 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.28 3hdh h ALA 280 Cb 0.95 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 3hdh h ALA 280 CO -0.58 0.04 -1.11 1.98 0.00 0.00 0.00 179.25 179.58 3hdh h MET 281 N 0.00 0.00 -0.00 0.00 -1.53 0.26 -3.24 114.93 110.41 3hdh h MET 281 Ca -0.00 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.26 3hdh h MET 281 Cb 0.22 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.27 3hdh h MET 281 CO 0.00 0.23 -0.09 0.09 0.14 0.00 0.00 176.91 177.28 3hdh n ASN 282 N -2.89 0.31 0.00 1.39 4.13 -0.16 -3.55 115.26 114.49 3hdh n ASN 282 Ca -0.05 -0.36 0.00 0.00 1.68 0.00 0.00 54.58 55.85 3hdh n ASN 282 Cb 0.73 -0.14 0.00 0.00 -1.54 0.00 0.00 39.78 38.83 3hdh n ASN 282 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 3hdh n LYS 283 N -1.12 0.00 -0.35 3.52 4.81 -0.98 -2.30 118.16 121.75 3hdh n LYS 283 Ca 0.13 0.13 0.32 0.00 -0.87 0.00 0.00 58.31 58.02 3hdh n LYS 283 Cb 0.27 -0.81 0.56 0.00 0.02 0.00 0.00 35.03 35.07 3hdh n LYS 283 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3hdh n LEU 284 N -0.88 0.25 0.23 3.14 4.77 -1.26 -0.18 117.00 123.07 3hdh n LEU 284 Ca 0.00 1.35 -0.09 0.00 -0.03 0.00 0.00 56.01 57.23 3hdh n LEU 284 Cb 0.00 -0.66 -0.04 0.00 -2.33 0.00 0.00 43.42 40.39 3hdh n LEU 284 CO 0.00 -1.49 0.34 0.58 -1.33 0.00 0.00 177.39 175.49 3hdh h VAL 285 N 0.00 0.00 0.00 4.08 2.07 -1.67 1.06 116.25 121.79 3hdh h VAL 285 Ca 0.76 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 68.04 3hdh h VAL 285 Cb 2.24 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 32.01 3hdh h VAL 285 CO -0.55 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.05 3hdh n ALA 286 N -2.49 1.30 -0.07 1.67 0.00 0.74 -0.04 120.51 121.63 3hdh n ALA 286 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3hdh n ALA 286 Cb 0.24 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.80 3hdh n ALA 286 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3hdh n GLU 287 N -0.99 2.77 -3.40 0.00 1.02 -0.50 -5.01 120.64 114.52 3hdh n GLU 287 Ca 0.00 -1.43 -0.17 0.00 -0.02 0.00 0.00 57.16 55.55 3hdh n GLU 287 Cb 0.00 -0.97 0.09 0.00 -0.02 0.00 0.00 31.44 30.54 3hdh n GLU 287 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3hdh n ASN 288 N -0.46 -2.85 -1.73 1.62 5.03 0.95 -4.92 115.26 112.89 3hdh n ASN 288 Ca 0.00 -0.64 -0.14 0.00 0.87 0.00 0.00 54.58 54.68 3hdh n ASN 288 Cb 0.26 -5.14 0.07 0.00 -1.02 0.00 0.00 39.78 33.95 3hdh n ASN 288 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3hdh n LYS 289 N -3.97 2.84 -0.32 3.52 5.02 0.36 -4.91 118.16 120.70 3hdh n LYS 289 Ca -0.25 -3.83 0.34 0.00 -2.02 0.00 0.00 58.31 52.55 3hdh n LYS 289 Cb 0.66 -1.98 0.53 0.00 -0.02 0.00 0.00 35.03 34.22 3hdh n LYS 289 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 3hdh h PHE 290 N 1.89 0.00 0.00 2.13 0.04 -1.66 -3.02 116.94 116.32 3hdh h PHE 290 Ca 0.21 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.98 3hdh h PHE 290 Cb 1.40 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.55 3hdh h PHE 290 CO 0.77 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.89 3hdh n GLY 291 N -1.77 0.41 0.15 -1.45 0.00 -0.69 0.16 105.19 102.00 3hdh n GLY 291 Ca 0.28 -1.26 0.01 0.00 0.00 0.00 0.00 46.02 45.05 3hdh n GLY 291 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hdh h LYS 292 N 0.00 0.00 -0.85 1.61 1.57 -1.26 0.29 116.57 117.93 3hdh h LYS 292 Ca 0.00 0.00 0.21 0.00 -1.87 0.00 0.00 60.65 58.99 3hdh h LYS 292 Cb 0.00 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.18 3hdh h LYS 292 CO 0.00 0.56 0.27 0.87 -0.57 0.00 0.00 179.45 180.58 3hdh h LYS 293 N 0.00 0.27 -0.24 3.15 1.57 -1.88 -0.79 116.57 118.65 3hdh h LYS 293 Ca -0.01 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3hdh h LYS 293 Cb 1.14 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.38 3hdh h LYS 293 CO 0.07 0.18 -0.00 0.25 -0.57 0.00 0.00 179.45 179.38 3hdh n THR 294 N -5.15 2.27 -1.03 -0.16 -2.24 -1.14 -4.99 114.28 101.83 3hdh n THR 294 Ca 0.20 -1.98 -0.01 0.00 -2.27 0.00 0.00 64.05 59.98 3hdh n THR 294 Cb 0.62 -0.26 -0.01 0.00 -2.10 0.00 0.00 70.33 68.59 3hdh n THR 294 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hdh n GLY 295 N -0.65 0.23 3.64 3.38 0.00 -0.30 -4.88 105.19 106.61 3hdh n GLY 295 Ca 0.22 -0.02 -0.07 0.00 0.00 0.00 0.00 46.02 46.15 3hdh n GLY 295 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hdh s GLU 296 N -1.65 0.46 0.00 1.61 2.12 0.94 0.51 118.70 122.69 3hdh s GLU 296 Ca 0.00 0.62 0.00 0.00 0.36 0.00 0.00 54.97 55.95 3hdh s GLU 296 Cb 0.00 0.19 0.00 0.00 0.26 0.00 0.00 34.13 34.58 3hdh s GLU 296 CO 0.00 -0.07 0.00 0.41 -0.54 0.00 0.00 175.26 175.06 3hdh n GLY 297 N 2.68 1.82 0.08 -1.50 0.00 -1.14 -1.70 105.19 105.43 3hdh n GLY 297 Ca -0.14 0.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.81 3hdh n GLY 297 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3hdh h PHE 298 N 0.00 0.15 -1.78 1.61 -1.00 -1.87 -3.45 116.94 110.61 3hdh h PHE 298 Ca 0.00 -0.11 -0.55 0.00 2.81 0.00 0.00 57.97 60.12 3hdh h PHE 298 Cb 0.00 -0.01 -0.08 0.00 3.61 0.00 0.00 35.95 39.47 3hdh h PHE 298 CO 0.00 1.05 -0.53 0.71 -1.61 0.00 0.00 178.31 177.93 3hdh s TYR 299 N -2.80 2.66 -0.18 -0.55 1.51 -1.26 -5.12 117.35 111.60 3hdh s TYR 299 Ca -0.01 -0.46 -0.01 0.00 -1.01 0.00 0.00 57.07 55.59 3hdh s TYR 299 Cb 0.09 -1.75 0.00 0.00 -0.11 0.00 0.00 41.96 40.20 3hdh s TYR 299 CO 0.83 0.28 -0.13 0.21 -1.11 0.00 0.00 175.55 175.64 3hdh s LYS 300 N -3.86 3.20 0.04 -0.62 2.20 -1.26 -4.27 119.74 115.16 3hdh s LYS 300 Ca 0.39 -0.73 0.01 0.00 -0.36 0.00 0.00 55.97 55.28 3hdh s LYS 300 Cb -0.00 -2.74 -0.04 0.00 -1.51 0.00 0.00 37.83 33.54 3hdh s LYS 300 CO 0.23 -0.12 0.09 0.71 -0.36 0.00 0.00 175.35 175.89 3hdh s TYR 301 N 1.18 3.26 -2.00 4.03 1.51 0.18 -4.96 117.35 120.56 3hdh s TYR 301 Ca 0.02 0.15 0.01 0.00 -1.01 0.00 0.00 57.07 56.24 3hdh s TYR 301 Cb -0.14 -1.69 0.05 0.00 -0.11 0.00 0.00 41.96 40.07 3hdh s TYR 301 CO -0.05 0.54 0.55 1.17 -1.11 0.00 0.00 175.55 176.64